7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C26H31N7O3 — CID 67354909

IUPAC7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CCC(C4)O5)cn3)nc2n1C1CCCC1
InChIInChI=1S/C26H31N7O3/c1-31(2)25(35)21-11-17-13-28-26(30-23(17)33(21)18-5-3-4-6-18)29-22-10-7-16(12-27-22)24(34)32-14-19-8-9-20(15-32)36-19/h7,10-13,18-20H,3-6,8-9,14-15H2,1-2H3,(H,27,28,29,30)
InChIKeyPQXREXAVKNZBOV-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.39
Rot. Bonds5

About 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 67354909) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID67354909
Molecular FormulaC26H31N7O3
Molecular Weight489.58 g/mol
Exact Mass489.25
IUPAC Name7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CCC(C4)O5)cn3)nc2n1C1CCCC1
InChIInChI=1S/C26H31N7O3/c1-31(2)25(35)21-11-17-13-28-26(30-23(17)33(21)18-5-3-4-6-18)29-22-10-7-16(12-27-22)24(34)32-14-19-8-9-20(15-32)36-19/h7,10-13,18-20H,3-6,8-9,14-15H2,1-2H3,(H,27,28,29,30)
InChIKeyPQXREXAVKNZBOV-UHFFFAOYSA-N
XLogP3.39
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 67354909) is 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CCC(C4)O5)cn3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PQXREXAVKNZBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3/c1-31(2)25(35)21-11-17-13-28-26(30-23(17)33(21)18-5-3-4-6-18)29-22-10-7-16(12-27-22)24(34)32-14-19-8-9-20(15-32)36-19/h7,10-13,18-20H,3-6,8-9,14-15H2,1-2H3,(H,27,28,29,30).
What are the key properties of 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 67354909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).