3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one

C32H39N5O — CID 137464327

IUPAC3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
SMILESCCCN1CCC(c2ccc3[nH]c(-c4cc(-c5cnc(C6CC6)nc5)c(=O)n(C)c4)c(C(C)C)c3c2)CC1
InChIInChI=1S/C32H39N5O/c1-5-12-37-13-10-21(11-14-37)23-8-9-28-27(15-23)29(20(2)3)30(35-28)24-16-26(32(38)36(4)19-24)25-17-33-31(34-18-25)22-6-7-22/h8-9,15-22,35H,5-7,10-14H2,1-4H3
InChIKeyCFFVDTVKKHXOOV-UHFFFAOYSA-N
MW509.70 g/mol
LogP6.58
Rot. Bonds7

About 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one

3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one (PubChem CID 137464327) has the molecular formula C32H39N5O and a molecular weight of 509.70 g/mol. Its IUPAC name is 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
PubChem CID137464327
Molecular FormulaC32H39N5O
Molecular Weight509.70 g/mol
Exact Mass509.32
IUPAC Name3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
SMILESCCCN1CCC(c2ccc3[nH]c(-c4cc(-c5cnc(C6CC6)nc5)c(=O)n(C)c4)c(C(C)C)c3c2)CC1
InChIInChI=1S/C32H39N5O/c1-5-12-37-13-10-21(11-14-37)23-8-9-28-27(15-23)29(20(2)3)30(35-28)24-16-26(32(38)36(4)19-24)25-17-33-31(34-18-25)22-6-7-22/h8-9,15-22,35H,5-7,10-14H2,1-4H3
InChIKeyCFFVDTVKKHXOOV-UHFFFAOYSA-N
XLogP6.58
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.70
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]-3-pyridin-3-ylpyridin-2-one
CID 137464604
1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
CID 137464445
1-methyl-5-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one
CID 137464342
1-methyl-5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one
CID 137464602
5-[5-(1-butylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]-3-chloro-1,4-dimethylpyridin-2-one
CID 137464302
3-chloro-1-methyl-5-[3-propan-2-yl-5-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-indol-2-yl]pyridin-2-one
CID 137464364
5-[5-[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,3-dimethylpyridin-2-one
CID 137464654
2-[4-[2-[5-(methoxymethyl)-1-methyl-6-oxo-3-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 137464472
1-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-prop-1-en-2-ylpyridin-2-one
CID 137464469
1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one
CID 137464689
2-[4-[2-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 170760467
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-(methoxymethyl)-1-methylpyridin-2-one
CID 137464339

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one?
The IUPAC name of 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one (CID 137464327) is 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one.
What is the SMILES notation for 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one?
The canonical SMILES for 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one is CCCN1CCC(c2ccc3[nH]c(-c4cc(-c5cnc(C6CC6)nc5)c(=O)n(C)c4)c(C(C)C)c3c2)CC1.
What is the InChIKey of 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one?
The InChIKey is CFFVDTVKKHXOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O/c1-5-12-37-13-10-21(11-14-37)23-8-9-28-27(15-23)29(20(2)3)30(35-28)24-16-26(32(38)36(4)19-24)25-17-33-31(34-18-25)22-6-7-22/h8-9,15-22,35H,5-7,10-14H2,1-4H3.
What are the key properties of 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one?
3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one has a molecular weight of 509.70 g/mol, XLogP of 6.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one is sourced from PubChem (CID 137464327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).