N-cycloheptyl-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide

C27H35N5O — CID 46386687

IUPACN-cycloheptyl-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide
SMILESCc1c(C)n(-c2ccccc2)c2nc(C(=O)NC3CCCCCC3)nc(N3CCCCC3)c12
InChIInChI=1S/C27H35N5O/c1-19-20(2)32(22-15-9-5-10-16-22)26-23(19)25(31-17-11-6-12-18-31)29-24(30-26)27(33)28-21-13-7-3-4-8-14-21/h5,9-10,15-16,21H,3-4,6-8,11-14,17-18H2,1-2H3,(H,28,33)
InChIKeyGUTPIIGMXXQRJP-UHFFFAOYSA-N
MW445.61 g/mol
LogP5.48
Rot. Bonds4

About N-cycloheptyl-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide

N-cycloheptyl-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide (PubChem CID 46386687) has the molecular formula C27H35N5O and a molecular weight of 445.61 g/mol. Its IUPAC name is N-cycloheptyl-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide
PubChem CID46386687
Molecular FormulaC27H35N5O
Molecular Weight445.61 g/mol
Exact Mass445.28
IUPAC NameN-cycloheptyl-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide
SMILESCc1c(C)n(-c2ccccc2)c2nc(C(=O)NC3CCCCCC3)nc(N3CCCCC3)c12
InChIInChI=1S/C27H35N5O/c1-19-20(2)32(22-15-9-5-10-16-22)26-23(19)25(31-17-11-6-12-18-31)29-24(30-26)27(33)28-21-13-7-3-4-8-14-21/h5,9-10,15-16,21H,3-4,6-8,11-14,17-18H2,1-2H3,(H,28,33)
InChIKeyGUTPIIGMXXQRJP-UHFFFAOYSA-N
XLogP5.48
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 50829647
N,5,6-trimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 50829660
5,6-dimethyl-7-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxylic acid
CID 46257814
N-(2,6-dimethylphenyl)-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 46386688
N-(3-chloro-4-methylphenyl)-5,6-dimethyl-7-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 50829708
N-(3-chlorophenyl)-5,6-dimethyl-7-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 50829657
2,3-dihydroindol-1-yl-(5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-yl)methanone
CID 50829678
N-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 46386698
7-(3-chlorophenyl)-5,6-dimethyl-N-(2-methylbutan-2-yl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 50829621
N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42880791
N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109372608
N-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 53096937

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of N-cycloheptyl-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide (CID 46386687) is N-cycloheptyl-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide is Cc1c(C)n(-c2ccccc2)c2nc(C(=O)NC3CCCCCC3)nc(N3CCCCC3)c12.
What is the InChIKey of N-cycloheptyl-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is GUTPIIGMXXQRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O/c1-19-20(2)32(22-15-9-5-10-16-22)26-23(19)25(31-17-11-6-12-18-31)29-24(30-26)27(33)28-21-13-7-3-4-8-14-21/h5,9-10,15-16,21H,3-4,6-8,11-14,17-18H2,1-2H3,(H,28,33).
What are the key properties of N-cycloheptyl-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide?
N-cycloheptyl-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 445.61 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 46386687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).