2-amino-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide

C60H69F4N23O6 — CID 159145624

IUPAC2-amino-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCN1CCC(Oc2ccncc2NC(=O)c2c(N)nc3ccc(C(F)(F)F)nn23)CC1.CN1CCC(Oc2ccncc2NC(=O)c2c(N)nc3cccnn23)CC1.CN1CCN(C(=O)C2CCN(c3c(F)cncc3NC(=O)c3c(N)nc4cccnn34)CC2)CC1
InChIInChI=1S/C23H28FN9O2.C19H20F3N7O2.C18H21N7O2/c1-30-9-11-32(12-10-30)23(35)15-4-7-31(8-5-15)19-16(24)13-26-14-17(19)28-22(34)20-21(25)29-18-3-2-6-27-33(18)20;1-28-8-5-11(6-9-28)31-13-4-7-24-10-12(13)25-18(30)16-17(23)26-15-3-2-14(19(20,21)22)27-29(15)16;1-24-9-5-12(6-10-24)27-14-4-8-20-11-13(14)22-18(26)16-17(19)23-15-3-2-7-21-25(15)16/h2-3,6,13-15H,4-5,7-12,25H2,1H3,(H,28,34);2-4,7,10-11H,5-6,8-9,23H2,1H3,(H,25,30);2-4,7-8,11-12H,5-6,9-10,19H2,1H3,(H,22,26)
InChIKeyKIQIFVWNMNMENA-UHFFFAOYSA-N
MW1284.36 g/mol
LogP4.97
Rot. Bonds12

About 2-amino-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide

2-amino-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 159145624) has the molecular formula C60H69F4N23O6 and a molecular weight of 1284.36 g/mol. Its IUPAC name is 2-amino-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID159145624
Molecular FormulaC60H69F4N23O6
Molecular Weight1284.36 g/mol
Exact Mass1283.57
IUPAC Name2-amino-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCN1CCC(Oc2ccncc2NC(=O)c2c(N)nc3ccc(C(F)(F)F)nn23)CC1.CN1CCC(Oc2ccncc2NC(=O)c2c(N)nc3cccnn23)CC1.CN1CCN(C(=O)C2CCN(c3c(F)cncc3NC(=O)c3c(N)nc4cccnn34)CC2)CC1
InChIInChI=1S/C23H28FN9O2.C19H20F3N7O2.C18H21N7O2/c1-30-9-11-32(12-10-30)23(35)15-4-7-31(8-5-15)19-16(24)13-26-14-17(19)28-22(34)20-21(25)29-18-3-2-6-27-33(18)20;1-28-8-5-11(6-9-28)31-13-4-7-24-10-12(13)25-18(30)16-17(23)26-15-3-2-14(19(20,21)22)27-29(15)16;1-24-9-5-12(6-10-24)27-14-4-8-20-11-13(14)22-18(26)16-17(19)23-15-3-2-7-21-25(15)16/h2-3,6,13-15H,4-5,7-12,25H2,1H3,(H,28,34);2-4,7,10-11H,5-6,8-9,23H2,1H3,(H,25,30);2-4,7-8,11-12H,5-6,9-10,19H2,1H3,(H,22,26)
InChIKeyKIQIFVWNMNMENA-UHFFFAOYSA-N
XLogP4.97
TPSA346.33 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds12
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001284.36
LogP ≤ 54.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 2-amino-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Related Compounds

N-(3-ethyl-1-((5-fluoropyridin-2-yl)methyl)-1H-indazol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 67259932
N-[3-cyclopropyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 67260095
2-amino-N-[4-[[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 76285599
2-amino-6-fluoro-N-[4-[(3S)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 76287697
2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 76287701
2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 76287702
2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 76287848
2-amino-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 76287850
5-amino-11-methyl-N-[4-(2,2,2-trifluoroethoxy)pyridin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
CID 90409024
2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 76285746
N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-3-fluoroindazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 57384598
N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-3-fluoroindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 57384857

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 2-amino-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 159145624) is 2-amino-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 2-amino-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide is CN1CCC(Oc2ccncc2NC(=O)c2c(N)nc3ccc(C(F)(F)F)nn23)CC1.CN1CCC(Oc2ccncc2NC(=O)c2c(N)nc3cccnn23)CC1.CN1CCN(C(=O)C2CCN(c3c(F)cncc3NC(=O)c3c(N)nc4cccnn34)CC2)CC1.
What is the InChIKey of 2-amino-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is KIQIFVWNMNMENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN9O2.C19H20F3N7O2.C18H21N7O2/c1-30-9-11-32(12-10-30)23(35)15-4-7-31(8-5-15)19-16(24)13-26-14-17(19)28-22(34)20-21(25)29-18-3-2-6-27-33(18)20;1-28-8-5-11(6-9-28)31-13-4-7-24-10-12(13)25-18(30)16-17(23)26-15-3-2-14(19(20,21)22)27-29(15)16;1-24-9-5-12(6-10-24)27-14-4-8-20-11-13(14)22-18(26)16-17(19)23-15-3-2-7-21-25(15)16/h2-3,6,13-15H,4-5,7-12,25H2,1H3,(H,28,34);2-4,7,10-11H,5-6,8-9,23H2,1H3,(H,25,30);2-4,7-8,11-12H,5-6,9-10,19H2,1H3,(H,22,26).
What are the key properties of 2-amino-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide?
2-amino-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 1284.36 g/mol, XLogP of 4.97, 12 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 159145624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).