1-[1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one

C28H29N7O2 — CID 71233753

IUPAC1-[1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCc1cc(Nc2nccc(-c3ccccn3)n2)cc2cc(C(=O)N3CCC(N4CCCC4=O)CC3)[nH]c12
InChIInChI=1S/C28H29N7O2/c1-18-15-20(31-28-30-11-7-23(33-28)22-5-2-3-10-29-22)16-19-17-24(32-26(18)19)27(37)34-13-8-21(9-14-34)35-12-4-6-25(35)36/h2-3,5,7,10-11,15-17,21,32H,4,6,8-9,12-14H2,1H3,(H,30,31,33)
InChIKeyUJPSDONFXYRIKV-UHFFFAOYSA-N
MW495.59 g/mol
LogP4.30
Rot. Bonds5

About 1-[1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 71233753) has the molecular formula C28H29N7O2 and a molecular weight of 495.59 g/mol. Its IUPAC name is 1-[1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID71233753
Molecular FormulaC28H29N7O2
Molecular Weight495.59 g/mol
Exact Mass495.24
IUPAC Name1-[1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCc1cc(Nc2nccc(-c3ccccn3)n2)cc2cc(C(=O)N3CCC(N4CCCC4=O)CC3)[nH]c12
InChIInChI=1S/C28H29N7O2/c1-18-15-20(31-28-30-11-7-23(33-28)22-5-2-3-10-29-22)16-19-17-24(32-26(18)19)27(37)34-13-8-21(9-14-34)35-12-4-6-25(35)36/h2-3,5,7,10-11,15-17,21,32H,4,6,8-9,12-14H2,1H3,(H,30,31,33)
InChIKeyUJPSDONFXYRIKV-UHFFFAOYSA-N
XLogP4.30
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one (CID 71233753) is 1-[1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one is Cc1cc(Nc2nccc(-c3ccccn3)n2)cc2cc(C(=O)N3CCC(N4CCCC4=O)CC3)[nH]c12.
What is the InChIKey of 1-[1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is UJPSDONFXYRIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O2/c1-18-15-20(31-28-30-11-7-23(33-28)22-5-2-3-10-29-22)16-19-17-24(32-26(18)19)27(37)34-13-8-21(9-14-34)35-12-4-6-25(35)36/h2-3,5,7,10-11,15-17,21,32H,4,6,8-9,12-14H2,1H3,(H,30,31,33).
What are the key properties of 1-[1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 495.59 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 71233753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).