4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide

C24H28FN7O — CID 167501002

IUPAC4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
SMILESCCNC1CCN(c2ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c3nn(C)cc23)CC1
InChIInChI=1S/C24H28FN7O/c1-4-26-16-7-9-31(10-8-16)21-6-5-18(22-19(21)14-30(3)29-22)24(33)28-17-11-20(25)23-27-15(2)12-32(23)13-17/h5-6,11-14,16,26H,4,7-10H2,1-3H3,(H,28,33)
InChIKeyJIPXNKUNMBLEIU-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.50
Rot. Bonds5

About 4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide

4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide (PubChem CID 167501002) has the molecular formula C24H28FN7O and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide.

Molecular Properties

Compound Name4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
PubChem CID167501002
Molecular FormulaC24H28FN7O
Molecular Weight449.53 g/mol
Exact Mass449.23
IUPAC Name4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
SMILESCCNC1CCN(c2ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c3nn(C)cc23)CC1
InChIInChI=1S/C24H28FN7O/c1-4-26-16-7-9-31(10-8-16)21-6-5-18(22-19(21)14-30(3)29-22)24(33)28-17-11-20(25)23-27-15(2)12-32(23)13-17/h5-6,11-14,16,26H,4,7-10H2,1-3H3,(H,28,33)
InChIKeyJIPXNKUNMBLEIU-UHFFFAOYSA-N
XLogP3.50
TPSA79.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide?
The IUPAC name of 4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide (CID 167501002) is 4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide.
What is the SMILES notation for 4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide?
The canonical SMILES for 4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide is CCNC1CCN(c2ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c3nn(C)cc23)CC1.
What is the InChIKey of 4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide?
The InChIKey is JIPXNKUNMBLEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O/c1-4-26-16-7-9-31(10-8-16)21-6-5-18(22-19(21)14-30(3)29-22)24(33)28-17-11-20(25)23-27-15(2)12-32(23)13-17/h5-6,11-14,16,26H,4,7-10H2,1-3H3,(H,28,33).
What are the key properties of 4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide?
4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide is sourced from PubChem (CID 167501002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).