9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione

C21H21N5O2 — CID 135258980

IUPAC9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione
SMILESCc1cc(Nc2ncnc3[nH]ccc23)c(=O)cc2c1C(=O)NC1(CCCC1)C2
InChIInChI=1S/C21H21N5O2/c1-12-8-15(25-19-14-4-7-22-18(14)23-11-24-19)16(27)9-13-10-21(5-2-3-6-21)26-20(28)17(12)13/h4,7-9,11H,2-3,5-6,10H2,1H3,(H,26,28)(H2,22,23,24,25,27)
InChIKeyNUZZWKCFBJOAFW-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.97
Rot. Bonds2

About 9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione

9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione (PubChem CID 135258980) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione.

Molecular Properties

Compound Name9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione
PubChem CID135258980
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione
SMILESCc1cc(Nc2ncnc3[nH]ccc23)c(=O)cc2c1C(=O)NC1(CCCC1)C2
InChIInChI=1S/C21H21N5O2/c1-12-8-15(25-19-14-4-7-22-18(14)23-11-24-19)16(27)9-13-10-21(5-2-3-6-21)26-20(28)17(12)13/h4,7-9,11H,2-3,5-6,10H2,1H3,(H,26,28)(H2,22,23,24,25,27)
InChIKeyNUZZWKCFBJOAFW-UHFFFAOYSA-N
XLogP2.97
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

9-methyl-7-(quinolin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclohexane]-1,6-dione
CID 142402598
9-methyl-7-[[5-methyl-6-(trifluoromethyl)-5,6-dihydroquinazolin-4-yl]amino]spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclohexane]-1,6-dione
CID 162570396
8-methoxy-1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-quinazoline-2,1'-cyclopentane]-4-one
CID 146651082
1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione
CID 146651036
N-[3-[5-methyl-4,8-dioxo-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-1-yl]phenyl]prop-2-enamide
CID 146650647
N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10198864
6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 135259180
8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
CID 142402610
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
ethyl 4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 142402596
N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 160896683
N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69190382

Frequently Asked Questions

What is the IUPAC name of 9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione?
The IUPAC name of 9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione (CID 135258980) is 9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione.
What is the SMILES notation for 9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione?
The canonical SMILES for 9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione is Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)cc2c1C(=O)NC1(CCCC1)C2.
What is the InChIKey of 9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione?
The InChIKey is NUZZWKCFBJOAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-12-8-15(25-19-14-4-7-22-18(14)23-11-24-19)16(27)9-13-10-21(5-2-3-6-21)26-20(28)17(12)13/h4,7-9,11H,2-3,5-6,10H2,1H3,(H,26,28)(H2,22,23,24,25,27).
What are the key properties of 9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione?
9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione has a molecular weight of 375.43 g/mol, XLogP of 2.97, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione is sourced from PubChem (CID 135258980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).