4-(4-amino-4-ethylpiperidin-1-yl)-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide

C25H30FN7O — CID 167500947

IUPAC4-(4-amino-4-ethylpiperidin-1-yl)-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide
SMILESCCn1cc2c(N3CCC(N)(CC)CC3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1
InChIInChI=1S/C25H30FN7O/c1-4-25(27)8-10-31(11-9-25)21-7-6-18(22-19(21)15-33(5-2)30-22)24(34)29-17-12-20(26)23-28-16(3)13-32(23)14-17/h6-7,12-15H,4-5,8-11,27H2,1-3H3,(H,29,34)
InChIKeyXUMSHVCUNIOQGP-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.11
Rot. Bonds5

About 4-(4-amino-4-ethylpiperidin-1-yl)-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide

4-(4-amino-4-ethylpiperidin-1-yl)-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide (PubChem CID 167500947) has the molecular formula C25H30FN7O and a molecular weight of 463.56 g/mol. Its IUPAC name is 4-(4-amino-4-ethylpiperidin-1-yl)-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide.

Molecular Properties

Compound Name4-(4-amino-4-ethylpiperidin-1-yl)-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide
PubChem CID167500947
Molecular FormulaC25H30FN7O
Molecular Weight463.56 g/mol
Exact Mass463.25
IUPAC Name4-(4-amino-4-ethylpiperidin-1-yl)-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide
SMILESCCn1cc2c(N3CCC(N)(CC)CC3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1
InChIInChI=1S/C25H30FN7O/c1-4-25(27)8-10-31(11-9-25)21-7-6-18(22-19(21)15-33(5-2)30-22)24(34)29-17-12-20(26)23-28-16(3)13-32(23)14-17/h6-7,12-15H,4-5,8-11,27H2,1-3H3,(H,29,34)
InChIKeyXUMSHVCUNIOQGP-UHFFFAOYSA-N
XLogP4.11
TPSA93.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide
CID 167502145
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-yl-2-propylindazole-7-carboxamide
CID 167500977
CID 167501346
CID 167501346
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(2R)-2-methoxypropyl]-4-piperazin-1-ylindazole-7-carboxamide
CID 167500934
[(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)-4-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)indazole-7-carboxamide
CID 167502177
ethane;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxypropyl)-4-piperazin-1-ylindazole-7-carboxamide
CID 167502185
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
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
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide
CID 167501617
4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
CID 167501002

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-4-ethylpiperidin-1-yl)-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide?
The IUPAC name of 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) is 4-(4-amino-4-ethylpiperidin-1-yl)-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide.
What is the SMILES notation for 4-(4-amino-4-ethylpiperidin-1-yl)-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide?
The canonical SMILES for 4-(4-amino-4-ethylpiperidin-1-yl)-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide is CCn1cc2c(N3CCC(N)(CC)CC3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1.
What is the InChIKey of 4-(4-amino-4-ethylpiperidin-1-yl)-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide?
The InChIKey is XUMSHVCUNIOQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN7O/c1-4-25(27)8-10-31(11-9-25)21-7-6-18(22-19(21)15-33(5-2)30-22)24(34)29-17-12-20(26)23-28-16(3)13-32(23)14-17/h6-7,12-15H,4-5,8-11,27H2,1-3H3,(H,29,34).
What are the key properties of 4-(4-amino-4-ethylpiperidin-1-yl)-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide?
4-(4-amino-4-ethylpiperidin-1-yl)-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-4-ethylpiperidin-1-yl)-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide is sourced from PubChem (CID 167500947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).