4-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-4-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide;1-piperidin-1-ylethanone

C41H47FN8O5 — CID 176932691

IUPAC4-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-4-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide;1-piperidin-1-ylethanone
SMILESCC(=O)N1CCCCC1.COc1cc(C2CCN(c3cccn4c(N5CCC(=O)NC5=O)cnc34)CC2)ccc1-c1ccc(F)c2[nH]c(C(=O)N(C)C)cc12
InChIInChI=1S/C34H34FN7O4.C7H13NO/c1-39(2)33(44)26-18-24-22(8-9-25(35)31(24)37-26)23-7-6-21(17-28(23)46-3)20-10-14-40(15-11-20)27-5-4-13-41-30(19-36-32(27)41)42-16-12-29(43)38-34(42)45;1-7(9)8-5-3-2-4-6-8/h4-9,13,17-20,37H,10-12,14-16H2,1-3H3,(H,38,43,45);2-6H2,1H3
InChIKeyRLDXGZQKXXESHK-UHFFFAOYSA-N
MW750.88 g/mol
LogP6.18
Rot. Bonds6

About 4-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-4-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide;1-piperidin-1-ylethanone

4-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-4-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide;1-piperidin-1-ylethanone (PubChem CID 176932691) has the molecular formula C41H47FN8O5 and a molecular weight of 750.88 g/mol. Its IUPAC name is 4-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-4-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide;1-piperidin-1-ylethanone.

Molecular Properties

Compound Name4-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-4-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide;1-piperidin-1-ylethanone
PubChem CID176932691
Molecular FormulaC41H47FN8O5
Molecular Weight750.88 g/mol
Exact Mass750.37
IUPAC Name4-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-4-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide;1-piperidin-1-ylethanone
SMILESCC(=O)N1CCCCC1.COc1cc(C2CCN(c3cccn4c(N5CCC(=O)NC5=O)cnc34)CC2)ccc1-c1ccc(F)c2[nH]c(C(=O)N(C)C)cc12
InChIInChI=1S/C34H34FN7O4.C7H13NO/c1-39(2)33(44)26-18-24-22(8-9-25(35)31(24)37-26)23-7-6-21(17-28(23)46-3)20-10-14-40(15-11-20)27-5-4-13-41-30(19-36-32(27)41)42-16-12-29(43)38-34(42)45;1-7(9)8-5-3-2-4-6-8/h4-9,13,17-20,37H,10-12,14-16H2,1-3H3,(H,38,43,45);2-6H2,1H3
InChIKeyRLDXGZQKXXESHK-UHFFFAOYSA-N
XLogP6.18
TPSA135.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.88
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-4-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide;1-piperidin-1-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-4-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide;1-piperidin-1-ylethanone?
The IUPAC name of 4-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-4-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide;1-piperidin-1-ylethanone (CID 176932691) is 4-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-4-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide;1-piperidin-1-ylethanone.
What is the SMILES notation for 4-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-4-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide;1-piperidin-1-ylethanone?
The canonical SMILES for 4-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-4-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide;1-piperidin-1-ylethanone is CC(=O)N1CCCCC1.COc1cc(C2CCN(c3cccn4c(N5CCC(=O)NC5=O)cnc34)CC2)ccc1-c1ccc(F)c2[nH]c(C(=O)N(C)C)cc12.
What is the InChIKey of 4-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-4-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide;1-piperidin-1-ylethanone?
The InChIKey is RLDXGZQKXXESHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34FN7O4.C7H13NO/c1-39(2)33(44)26-18-24-22(8-9-25(35)31(24)37-26)23-7-6-21(17-28(23)46-3)20-10-14-40(15-11-20)27-5-4-13-41-30(19-36-32(27)41)42-16-12-29(43)38-34(42)45;1-7(9)8-5-3-2-4-6-8/h4-9,13,17-20,37H,10-12,14-16H2,1-3H3,(H,38,43,45);2-6H2,1H3.
What are the key properties of 4-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-4-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide;1-piperidin-1-ylethanone?
4-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-4-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide;1-piperidin-1-ylethanone has a molecular weight of 750.88 g/mol, XLogP of 6.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-4-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide;1-piperidin-1-ylethanone is sourced from PubChem (CID 176932691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).