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

C31H39N9O3 — CID 67356716

IUPAC7-cyclopentyl-N,N-dimethyl-2-[[5-[8-(pyrrolidine-2-carbonyl)-3,8-diazabicyclo[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)N5C(=O)C4CCCN4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C31H39N9O3/c1-37(2)30(43)25-14-20-16-34-31(36-27(20)40(25)21-6-3-4-7-21)35-26-12-9-19(15-33-26)28(41)38-17-22-10-11-23(18-38)39(22)29(42)24-8-5-13-32-24/h9,12,14-16,21-24,32H,3-8,10-11,13,17-18H2,1-2H3,(H,33,34,35,36)
InChIKeyAZLGBASLSPFZCV-UHFFFAOYSA-N
MW585.71 g/mol
LogP2.95
Rot. Bonds6

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

7-cyclopentyl-N,N-dimethyl-2-[[5-[8-(pyrrolidine-2-carbonyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 67356716) has the molecular formula C31H39N9O3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 7-cyclopentyl-N,N-dimethyl-2-[[5-[8-(pyrrolidine-2-carbonyl)-3,8-diazabicyclo[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-(pyrrolidine-2-carbonyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID67356716
Molecular FormulaC31H39N9O3
Molecular Weight585.71 g/mol
Exact Mass585.32
IUPAC Name7-cyclopentyl-N,N-dimethyl-2-[[5-[8-(pyrrolidine-2-carbonyl)-3,8-diazabicyclo[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)N5C(=O)C4CCCN4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C31H39N9O3/c1-37(2)30(43)25-14-20-16-34-31(36-27(20)40(25)21-6-3-4-7-21)35-26-12-9-19(15-33-26)28(41)38-17-22-10-11-23(18-38)39(22)29(42)24-8-5-13-32-24/h9,12,14-16,21-24,32H,3-8,10-11,13,17-18H2,1-2H3,(H,33,34,35,36)
InChIKeyAZLGBASLSPFZCV-UHFFFAOYSA-N
XLogP2.95
TPSA128.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.71
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

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Trilaciclib
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Lerociclib
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Trilaciclib dihydrochloride
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Ribociclib Succinate
CID 57334219
(2R,3R)-3-[[6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)pyrazin-2-yl]amino]-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 56834890
7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 70116605
Spiro[cyclohexane-1,9'(6'H)-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidin]-6'-one, 7',8'-dihydro-2'-[[5-(1-piperazinyl)-2-pyridinyl]amino]-
CID 89798202
(R)-N-(1-Benzyl-1H-pyrazol-4-yl)-9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3',2':4,5]pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 53230343
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-2-(1H-pyrrolo(2,3-b)pyridin-3-yl)-
CID 5327622
[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-5-Yl](6-{[2-(Pyridin-3-Yl)ethyl]amino}pyrazin-2-Yl)methanone
CID 53488414
7-Cyclopentyl-2-({1-Methyl-5-[(4-Methylpiperazin-1-Yl)carbonyl]-1h-Pyrrol-3-Yl}amino)-7h-Pyrrolo[2,3-D]pyrimidine-6-Carboxamide
CID 57383477

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-[8-(pyrrolidine-2-carbonyl)-3,8-diazabicyclo[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-(pyrrolidine-2-carbonyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 67356716) is 7-cyclopentyl-N,N-dimethyl-2-[[5-[8-(pyrrolidine-2-carbonyl)-3,8-diazabicyclo[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-(pyrrolidine-2-carbonyl)-3,8-diazabicyclo[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-(pyrrolidine-2-carbonyl)-3,8-diazabicyclo[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)N5C(=O)C4CCCN4)cn3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-N,N-dimethyl-2-[[5-[8-(pyrrolidine-2-carbonyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is AZLGBASLSPFZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N9O3/c1-37(2)30(43)25-14-20-16-34-31(36-27(20)40(25)21-6-3-4-7-21)35-26-12-9-19(15-33-26)28(41)38-17-22-10-11-23(18-38)39(22)29(42)24-8-5-13-32-24/h9,12,14-16,21-24,32H,3-8,10-11,13,17-18H2,1-2H3,(H,33,34,35,36).
What are the key properties of 7-cyclopentyl-N,N-dimethyl-2-[[5-[8-(pyrrolidine-2-carbonyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-N,N-dimethyl-2-[[5-[8-(pyrrolidine-2-carbonyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 585.71 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N,N-dimethyl-2-[[5-[8-(pyrrolidine-2-carbonyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 67356716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).