1-(6-amino-3-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide

C31H40F3N7O3 — CID 156907602

IUPAC1-(6-amino-3-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCOC1CC(C)NC(=O)C1CNC(=O)c1cc2c(-c3ccc(N)nc3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C31H40F3N7O3/c1-18-13-26(44-4)24(30(43)38-18)16-37-29(42)23-14-25-22(21-5-6-27(35)36-15-21)7-8-41(25)28(19(23)2)20(3)40-11-9-39(10-12-40)17-31(32,33)34/h5-8,14-15,18,20,24,26H,9-13,16-17H2,1-4H3,(H2,35,36)(H,37,42)(H,38,43)
InChIKeyPTXKHQOLUWNDRY-UHFFFAOYSA-N
MW615.70 g/mol
LogP3.40
Rot. Bonds8

About 1-(6-amino-3-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide

1-(6-amino-3-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 156907602) has the molecular formula C31H40F3N7O3 and a molecular weight of 615.70 g/mol. Its IUPAC name is 1-(6-amino-3-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.

Molecular Properties

Compound Name1-(6-amino-3-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
PubChem CID156907602
Molecular FormulaC31H40F3N7O3
Molecular Weight615.70 g/mol
Exact Mass615.31
IUPAC Name1-(6-amino-3-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCOC1CC(C)NC(=O)C1CNC(=O)c1cc2c(-c3ccc(N)nc3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C31H40F3N7O3/c1-18-13-26(44-4)24(30(43)38-18)16-37-29(42)23-14-25-22(21-5-6-27(35)36-15-21)7-8-41(25)28(19(23)2)20(3)40-11-9-39(10-12-40)17-31(32,33)34/h5-8,14-15,18,20,24,26H,9-13,16-17H2,1-4H3,(H2,35,36)(H,37,42)(H,38,43)
InChIKeyPTXKHQOLUWNDRY-UHFFFAOYSA-N
XLogP3.40
TPSA117.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.70
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The IUPAC name of 1-(6-amino-3-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 156907602) is 1-(6-amino-3-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.
What is the SMILES notation for 1-(6-amino-3-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The canonical SMILES for 1-(6-amino-3-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is COC1CC(C)NC(=O)C1CNC(=O)c1cc2c(-c3ccc(N)nc3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C.
What is the InChIKey of 1-(6-amino-3-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The InChIKey is PTXKHQOLUWNDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40F3N7O3/c1-18-13-26(44-4)24(30(43)38-18)16-37-29(42)23-14-25-22(21-5-6-27(35)36-15-21)7-8-41(25)28(19(23)2)20(3)40-11-9-39(10-12-40)17-31(32,33)34/h5-8,14-15,18,20,24,26H,9-13,16-17H2,1-4H3,(H2,35,36)(H,37,42)(H,38,43).
What are the key properties of 1-(6-amino-3-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
1-(6-amino-3-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 615.70 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 156907602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).