2-[[5-[(3aR,7aS)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C26H32N8O2 — CID 67355877

IUPAC2-[[5-[(3aR,7aS)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5CNC[C@H]5CC4=O)cn3)nc2n1C1CCCC1
InChIInChI=1S/C26H32N8O2/c1-32(2)25(36)21-9-17-13-29-26(31-24(17)34(21)19-5-3-4-6-19)30-22-8-7-20(14-28-22)33-15-18-12-27-11-16(18)10-23(33)35/h7-9,13-14,16,18-19,27H,3-6,10-12,15H2,1-2H3,(H,28,29,30,31)/t16-,18-/m1/s1
InChIKeyPXFIUPLVBBAUKD-SJLPKXTDSA-N
MW488.60 g/mol
LogP2.96
Rot. Bonds5

About 2-[[5-[(3aR,7aS)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

2-[[5-[(3aR,7aS)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 67355877) has the molecular formula C26H32N8O2 and a molecular weight of 488.60 g/mol. Its IUPAC name is 2-[[5-[(3aR,7aS)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[[5-[(3aR,7aS)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID67355877
Molecular FormulaC26H32N8O2
Molecular Weight488.60 g/mol
Exact Mass488.26
IUPAC Name2-[[5-[(3aR,7aS)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5CNC[C@H]5CC4=O)cn3)nc2n1C1CCCC1
InChIInChI=1S/C26H32N8O2/c1-32(2)25(36)21-9-17-13-29-26(31-24(17)34(21)19-5-3-4-6-19)30-22-8-7-20(14-28-22)33-15-18-12-27-11-16(18)10-23(33)35/h7-9,13-14,16,18-19,27H,3-6,10-12,15H2,1-2H3,(H,28,29,30,31)/t16-,18-/m1/s1
InChIKeyPXFIUPLVBBAUKD-SJLPKXTDSA-N
XLogP2.96
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-[(3aR,7aS)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(3aR,7aS)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-[[5-[(3aR,7aS)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 67355877) is 2-[[5-[(3aR,7aS)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[[5-[(3aR,7aS)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[[5-[(3aR,7aS)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5CNC[C@H]5CC4=O)cn3)nc2n1C1CCCC1.
What is the InChIKey of 2-[[5-[(3aR,7aS)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PXFIUPLVBBAUKD-SJLPKXTDSA-N. The full InChI is InChI=1S/C26H32N8O2/c1-32(2)25(36)21-9-17-13-29-26(31-24(17)34(21)19-5-3-4-6-19)30-22-8-7-20(14-28-22)33-15-18-12-27-11-16(18)10-23(33)35/h7-9,13-14,16,18-19,27H,3-6,10-12,15H2,1-2H3,(H,28,29,30,31)/t16-,18-/m1/s1.
What are the key properties of 2-[[5-[(3aR,7aS)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
2-[[5-[(3aR,7aS)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 488.60 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(3aR,7aS)-6-oxo-2,3,3a,4,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 67355877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).