7-cycloheptyl-2-[[5-(7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C28H35N7O3 — CID 77272099

IUPAC7-cycloheptyl-2-[[5-(7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CCC4C5O)cn3)nc2n1C1CCCCCC1
InChIInChI=1S/C28H35N7O3/c1-33(2)27(38)22-13-19-15-30-28(32-25(19)35(22)20-7-5-3-4-6-8-20)31-23-12-10-17(14-29-23)26(37)34-16-18-9-11-21(34)24(18)36/h10,12-15,18,20-21,24,36H,3-9,11,16H2,1-2H3,(H,29,30,31,32)
InChIKeyKDYZIBQFKOKQRM-UHFFFAOYSA-N
MW517.63 g/mol
LogP3.76
Rot. Bonds5

About 7-cycloheptyl-2-[[5-(7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cycloheptyl-2-[[5-(7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 77272099) has the molecular formula C28H35N7O3 and a molecular weight of 517.63 g/mol. Its IUPAC name is 7-cycloheptyl-2-[[5-(7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cycloheptyl-2-[[5-(7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID77272099
Molecular FormulaC28H35N7O3
Molecular Weight517.63 g/mol
Exact Mass517.28
IUPAC Name7-cycloheptyl-2-[[5-(7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CCC4C5O)cn3)nc2n1C1CCCCCC1
InChIInChI=1S/C28H35N7O3/c1-33(2)27(38)22-13-19-15-30-28(32-25(19)35(22)20-7-5-3-4-6-8-20)31-23-12-10-17(14-29-23)26(37)34-16-18-9-11-21(34)24(18)36/h10,12-15,18,20-21,24,36H,3-9,11,16H2,1-2H3,(H,29,30,31,32)
InChIKeyKDYZIBQFKOKQRM-UHFFFAOYSA-N
XLogP3.76
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.63
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-cycloheptyl-2-[[5-(7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-cycloheptyl-2-[[5-(7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cycloheptyl-2-[[5-(7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 77272099) is 7-cycloheptyl-2-[[5-(7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cycloheptyl-2-[[5-(7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cycloheptyl-2-[[5-(7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CCC4C5O)cn3)nc2n1C1CCCCCC1.
What is the InChIKey of 7-cycloheptyl-2-[[5-(7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KDYZIBQFKOKQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O3/c1-33(2)27(38)22-13-19-15-30-28(32-25(19)35(22)20-7-5-3-4-6-8-20)31-23-12-10-17(14-29-23)26(37)34-16-18-9-11-21(34)24(18)36/h10,12-15,18,20-21,24,36H,3-9,11,16H2,1-2H3,(H,29,30,31,32).
What are the key properties of 7-cycloheptyl-2-[[5-(7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cycloheptyl-2-[[5-(7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 517.63 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cycloheptyl-2-[[5-(7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 77272099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).