N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane

C23H33N7 — CID 164537186

IUPACN-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane
SMILESCC.c1cc(NC2CCNC2)nc(-c2cnc3ccc(NC4CCCCC4)nn23)c1
InChIInChI=1S/C21H27N7.C2H6/c1-2-5-15(6-3-1)24-20-9-10-21-23-14-18(28(21)27-20)17-7-4-8-19(26-17)25-16-11-12-22-13-16;1-2/h4,7-10,14-16,22H,1-3,5-6,11-13H2,(H,24,27)(H,25,26);1-2H3
InChIKeyMKNVREMMNZJLTM-UHFFFAOYSA-N
MW407.57 g/mol
LogP4.34
Rot. Bonds5

About N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane

N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane (PubChem CID 164537186) has the molecular formula C23H33N7 and a molecular weight of 407.57 g/mol. Its IUPAC name is N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane.

Molecular Properties

Compound NameN-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane
PubChem CID164537186
Molecular FormulaC23H33N7
Molecular Weight407.57 g/mol
Exact Mass407.28
IUPAC NameN-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane
SMILESCC.c1cc(NC2CCNC2)nc(-c2cnc3ccc(NC4CCCCC4)nn23)c1
InChIInChI=1S/C21H27N7.C2H6/c1-2-5-15(6-3-1)24-20-9-10-21-23-14-18(28(21)27-20)17-7-4-8-19(26-17)25-16-11-12-22-13-16;1-2/h4,7-10,14-16,22H,1-3,5-6,11-13H2,(H,24,27)(H,25,26);1-2H3
InChIKeyMKNVREMMNZJLTM-UHFFFAOYSA-N
XLogP4.34
TPSA79.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.57
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane?
The IUPAC name of N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane (CID 164537186) is N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane.
What is the SMILES notation for N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane?
The canonical SMILES for N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane is CC.c1cc(NC2CCNC2)nc(-c2cnc3ccc(NC4CCCCC4)nn23)c1.
What is the InChIKey of N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane?
The InChIKey is MKNVREMMNZJLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7.C2H6/c1-2-5-15(6-3-1)24-20-9-10-21-23-14-18(28(21)27-20)17-7-4-8-19(26-17)25-16-11-12-22-13-16;1-2/h4,7-10,14-16,22H,1-3,5-6,11-13H2,(H,24,27)(H,25,26);1-2H3.
What are the key properties of N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane?
N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane has a molecular weight of 407.57 g/mol, XLogP of 4.34, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane is sourced from PubChem (CID 164537186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).