N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine

C27H34FN9O — CID 90147126

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCN(CCN(C)C)CC4)n3)ccc2[nH]1
InChIInChI=1S/C27H34FN9O/c1-17-14-19-20(29-17)6-7-22(26(19)28)38-27-31-23(30-24-15-21(33-34-24)18-4-5-18)16-25(32-27)37-12-10-36(11-13-37)9-8-35(2)3/h6-7,14-16,18,29H,4-5,8-13H2,1-3H3,(H2,30,31,32,33,34)
InChIKeyVIUSOBPDZYMRKF-UHFFFAOYSA-N
MW519.63 g/mol
LogP4.23
Rot. Bonds9

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine (PubChem CID 90147126) has the molecular formula C27H34FN9O and a molecular weight of 519.63 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
PubChem CID90147126
Molecular FormulaC27H34FN9O
Molecular Weight519.63 g/mol
Exact Mass519.29
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCN(CCN(C)C)CC4)n3)ccc2[nH]1
InChIInChI=1S/C27H34FN9O/c1-17-14-19-20(29-17)6-7-22(26(19)28)38-27-31-23(30-24-15-21(33-34-24)18-4-5-18)16-25(32-27)37-12-10-36(11-13-37)9-8-35(2)3/h6-7,14-16,18,29H,4-5,8-13H2,1-3H3,(H2,30,31,32,33,34)
InChIKeyVIUSOBPDZYMRKF-UHFFFAOYSA-N
XLogP4.23
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.63
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine with MolForge

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Related Compounds

MLi-2
CID 78319901
N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[[(6S)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide
CID 56970264
N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide
CID 59394091
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394170
5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 59394364
6-Methoxy-3,8-Dimethyl-4-(Piperazin-1-Yl)-1h-Pyrazolo[3,4-B]quinoline
CID 46239840
[1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-yl]methanamine
CID 57393964
N-[3-[4-(1H-indazol-3-ylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]oxyphenyl]prop-2-enamide
CID 122186150
4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-8-methoxy-5H-pyrimido[5,4-b]indole
CID 11350733
N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 56970466
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazol-3-yl]indole-1-carboxamide
CID 59394395
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 59394622

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine (CID 90147126) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine is Cc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCN(CCN(C)C)CC4)n3)ccc2[nH]1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
The InChIKey is VIUSOBPDZYMRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN9O/c1-17-14-19-20(29-17)6-7-22(26(19)28)38-27-31-23(30-24-15-21(33-34-24)18-4-5-18)16-25(32-27)37-12-10-36(11-13-37)9-8-35(2)3/h6-7,14-16,18,29H,4-5,8-13H2,1-3H3,(H2,30,31,32,33,34).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine has a molecular weight of 519.63 g/mol, XLogP of 4.23, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 90147126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).