[7-cyclopentyl-2-[[5-[(1R,6S)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl] N-methylcarbamate

C25H30N8O3 — CID 118205717

IUPAC[7-cyclopentyl-2-[[5-[(1R,6S)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl] N-methylcarbamate
SMILESCNC(=O)Oc1cc2cnc(Nc3ccc(N4C[C@H]5CC[C@@H](CC4=O)N5)cn3)nc2n1C1CCCC1
InChIInChI=1S/C25H30N8O3/c1-26-25(35)36-22-10-15-12-28-24(31-23(15)33(22)18-4-2-3-5-18)30-20-9-8-19(13-27-20)32-14-17-7-6-16(29-17)11-21(32)34/h8-10,12-13,16-18,29H,2-7,11,14H2,1H3,(H,26,35)(H,27,28,30,31)/t16-,17+/m0/s1
InChIKeyJJXWOPWASZKGHS-DLBZAZTESA-N
MW490.57 g/mol
LogP3.26
Rot. Bonds5

About [7-cyclopentyl-2-[[5-[(1R,6S)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl] N-methylcarbamate

[7-cyclopentyl-2-[[5-[(1R,6S)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl] N-methylcarbamate (PubChem CID 118205717) has the molecular formula C25H30N8O3 and a molecular weight of 490.57 g/mol. Its IUPAC name is [7-cyclopentyl-2-[[5-[(1R,6S)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl] N-methylcarbamate.

Molecular Properties

Compound Name[7-cyclopentyl-2-[[5-[(1R,6S)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl] N-methylcarbamate
PubChem CID118205717
Molecular FormulaC25H30N8O3
Molecular Weight490.57 g/mol
Exact Mass490.24
IUPAC Name[7-cyclopentyl-2-[[5-[(1R,6S)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl] N-methylcarbamate
SMILESCNC(=O)Oc1cc2cnc(Nc3ccc(N4C[C@H]5CC[C@@H](CC4=O)N5)cn3)nc2n1C1CCCC1
InChIInChI=1S/C25H30N8O3/c1-26-25(35)36-22-10-15-12-28-24(31-23(15)33(22)18-4-2-3-5-18)30-20-9-8-19(13-27-20)32-14-17-7-6-16(29-17)11-21(32)34/h8-10,12-13,16-18,29H,2-7,11,14H2,1H3,(H,26,35)(H,27,28,30,31)/t16-,17+/m0/s1
InChIKeyJJXWOPWASZKGHS-DLBZAZTESA-N
XLogP3.26
TPSA126.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [7-cyclopentyl-2-[[5-[(1R,6S)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl] N-methylcarbamate with MolForge

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Launch Full Analysis

Related Compounds

7-cyclohexyl-N,N-dimethyl-2-[[5-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 67356350
6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 145063331
tert-butyl (1R,6S)-3-[6-[(7-cyclopentyl-6-propanoylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate;(1R,6S)-3-[6-[(7-cyclopentyl-6-propanoylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 158254726
2-[[5-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]amino]-7-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 67379556
7-cyclopentyl-N,N-dimethyl-2-[[5-(2-oxospiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-3-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 53379233
2-[[5-[9-(2-acetamidoacetyl)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 77275838
8-cyclopentyl-2-[[5-(3,5-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-6-ethylpyrido[2,3-d]pyrimidin-7-one
CID 22329819
7-cyclopentyl-N,N-dimethyl-2-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 126538869
4-[6-[[8-cyclopentyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 22329866
7-cyclopentyl-2-[[5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 154034424
tert-butyl 3-(6-amino-3-pyridinyl)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate;tert-butyl 3-[6-[[7-cyclohexyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate;2-chloro-7-cyclohexyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 159131132
7-cyclopentyl-2-[[5-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine
CID 175224037

Frequently Asked Questions

What is the IUPAC name of [7-cyclopentyl-2-[[5-[(1R,6S)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl] N-methylcarbamate?
The IUPAC name of [7-cyclopentyl-2-[[5-[(1R,6S)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl] N-methylcarbamate (CID 118205717) is [7-cyclopentyl-2-[[5-[(1R,6S)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl] N-methylcarbamate.
What is the SMILES notation for [7-cyclopentyl-2-[[5-[(1R,6S)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl] N-methylcarbamate?
The canonical SMILES for [7-cyclopentyl-2-[[5-[(1R,6S)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl] N-methylcarbamate is CNC(=O)Oc1cc2cnc(Nc3ccc(N4C[C@H]5CC[C@@H](CC4=O)N5)cn3)nc2n1C1CCCC1.
What is the InChIKey of [7-cyclopentyl-2-[[5-[(1R,6S)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl] N-methylcarbamate?
The InChIKey is JJXWOPWASZKGHS-DLBZAZTESA-N. The full InChI is InChI=1S/C25H30N8O3/c1-26-25(35)36-22-10-15-12-28-24(31-23(15)33(22)18-4-2-3-5-18)30-20-9-8-19(13-27-20)32-14-17-7-6-16(29-17)11-21(32)34/h8-10,12-13,16-18,29H,2-7,11,14H2,1H3,(H,26,35)(H,27,28,30,31)/t16-,17+/m0/s1.
What are the key properties of [7-cyclopentyl-2-[[5-[(1R,6S)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl] N-methylcarbamate?
[7-cyclopentyl-2-[[5-[(1R,6S)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl] N-methylcarbamate has a molecular weight of 490.57 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [7-cyclopentyl-2-[[5-[(1R,6S)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl] N-methylcarbamate is sourced from PubChem (CID 118205717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).