[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-4-ylmethanone

C19H20N6O — CID 118911635

IUPAC[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-4-ylmethanone
SMILESCN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)c2ccncc2)CC12CC2
InChIInChI=1S/C19H20N6O/c1-24(17-14-4-9-21-16(14)22-12-23-17)15-10-25(11-19(15)5-6-19)18(26)13-2-7-20-8-3-13/h2-4,7-9,12,15H,5-6,10-11H2,1H3,(H,21,22,23)/t15-/m0/s1
InChIKeyOCMXVQWXVVAJMF-HNNXBMFYSA-N
MW348.41 g/mol
LogP2.09
Rot. Bonds3

About [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-4-ylmethanone

[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-4-ylmethanone (PubChem CID 118911635) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-4-ylmethanone
PubChem CID118911635
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-4-ylmethanone
SMILESCN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)c2ccncc2)CC12CC2
InChIInChI=1S/C19H20N6O/c1-24(17-14-4-9-21-16(14)22-12-23-17)15-10-25(11-19(15)5-6-19)18(26)13-2-7-20-8-3-13/h2-4,7-9,12,15H,5-6,10-11H2,1H3,(H,21,22,23)/t15-/m0/s1
InChIKeyOCMXVQWXVVAJMF-HNNXBMFYSA-N
XLogP2.09
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-4-ylmethanone 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

VX 509
CID 59422203
Y-33075
CID 9810884
Y-39983
CID 11507964
PF-Akt400
CID 25061501
3-[(3r)-3-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)piperidin-1-Yl]-3-Oxopropanenitrile
CID 53341457
[4-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)piperidin-1-Yl][(2s)-1-(Propan-2-Yl)pyrrolidin-2-Yl]methanone
CID 53341544
7-(2,2-dimethyl-propyl)-6-(1,3-dioxo-2,8-diaza-spiro[4.5]dec-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 10046162
(S)-N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)methyl)-2,4-difluorobenzamide
CID 46838190
3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide
CID 163722002
Exemplary Synthetic Procedure #22
CID 163991946
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
3-[(3R,4R)-4-methyl-3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-1-yl]-3-oxopropanenitrile
CID 60165955

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-4-ylmethanone (CID 118911635) is [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-4-ylmethanone is CN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)c2ccncc2)CC12CC2.
What is the InChIKey of [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-4-ylmethanone?
The InChIKey is OCMXVQWXVVAJMF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-24(17-14-4-9-21-16(14)22-12-23-17)15-10-25(11-19(15)5-6-19)18(26)13-2-7-20-8-3-13/h2-4,7-9,12,15H,5-6,10-11H2,1H3,(H,21,22,23)/t15-/m0/s1.
What are the key properties of [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-4-ylmethanone?
[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-4-ylmethanone has a molecular weight of 348.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 118911635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).