2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide

C23H26FN7O — CID 167502145

IUPAC2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide
SMILESCCn1cc2c(N3CC[C@@H](NC)C3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1
InChIInChI=1S/C23H26FN7O/c1-4-31-13-18-20(29-8-7-15(11-29)25-3)6-5-17(21(18)28-31)23(32)27-16-9-19(24)22-26-14(2)10-30(22)12-16/h5-6,9-10,12-13,15,25H,4,7-8,11H2,1-3H3,(H,27,32)/t15-/m1/s1
InChIKeyPCEHKANCTQRYLA-OAHLLOKOSA-N
MW435.51 g/mol
LogP3.20
Rot. Bonds5

About 2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide

2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide (PubChem CID 167502145) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide
PubChem CID167502145
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide
SMILESCCn1cc2c(N3CC[C@@H](NC)C3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1
InChIInChI=1S/C23H26FN7O/c1-4-31-13-18-20(29-8-7-15(11-29)25-3)6-5-17(21(18)28-31)23(32)27-16-9-19(24)22-26-14(2)10-30(22)12-16/h5-6,9-10,12-13,15,25H,4,7-8,11H2,1-3H3,(H,27,32)/t15-/m1/s1
InChIKeyPCEHKANCTQRYLA-OAHLLOKOSA-N
XLogP3.20
TPSA79.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate
CID 176741432
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-methoxy-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide
CID 167501418
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide
CID 167500253
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylindazole-7-carboxamide;propane
CID 167500912
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)indazole-7-carboxamide
CID 167502177
4-(4-amino-4-ethylpiperidin-1-yl)-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide
CID 167500947
4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
CID 167502110
4-[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide
CID 167501775
4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
CID 167501002
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3S,5R)-3-methyl-5-propan-2-ylpiperazin-1-yl]indazole-7-carboxamide
CID 167501435
tert-butyl N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-(2-methoxyethyl)indazol-4-yl]pyrrolidin-3-yl]carbamate
CID 167500915
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
CID 167501954

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide?
The IUPAC name of 2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide (CID 167502145) is 2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide.
What is the SMILES notation for 2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide?
The canonical SMILES for 2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide is CCn1cc2c(N3CC[C@@H](NC)C3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1.
What is the InChIKey of 2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide?
The InChIKey is PCEHKANCTQRYLA-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-4-31-13-18-20(29-8-7-15(11-29)25-3)6-5-17(21(18)28-31)23(32)27-16-9-19(24)22-26-14(2)10-30(22)12-16/h5-6,9-10,12-13,15,25H,4,7-8,11H2,1-3H3,(H,27,32)/t15-/m1/s1.
What are the key properties of 2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide?
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide is sourced from PubChem (CID 167502145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).