(1S,4R)-2-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.2.1]heptan-3-one

C19H21N7O — CID 162748024

IUPAC(1S,4R)-2-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.2.1]heptan-3-one
SMILESCCn1ncc(Nc2ncc3ccc(N4C(=O)[C@@H]5CC[C@H]4C5)nc3n2)c1C
InChIInChI=1S/C19H21N7O/c1-3-25-11(2)15(10-21-25)22-19-20-9-13-5-7-16(23-17(13)24-19)26-14-6-4-12(8-14)18(26)27/h5,7,9-10,12,14H,3-4,6,8H2,1-2H3,(H,20,22,23,24)/t12-,14+/m1/s1
InChIKeyJLJWIUSTGOLUAS-OCCSQVGLSA-N
MW363.43 g/mol
LogP2.81
Rot. Bonds4

About (1S,4R)-2-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.2.1]heptan-3-one

(1S,4R)-2-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.2.1]heptan-3-one (PubChem CID 162748024) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is (1S,4R)-2-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name(1S,4R)-2-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.2.1]heptan-3-one
PubChem CID162748024
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name(1S,4R)-2-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.2.1]heptan-3-one
SMILESCCn1ncc(Nc2ncc3ccc(N4C(=O)[C@@H]5CC[C@H]4C5)nc3n2)c1C
InChIInChI=1S/C19H21N7O/c1-3-25-11(2)15(10-21-25)22-19-20-9-13-5-7-16(23-17(13)24-19)26-14-6-4-12(8-14)18(26)27/h5,7,9-10,12,14H,3-4,6,8H2,1-2H3,(H,20,22,23,24)/t12-,14+/m1/s1
InChIKeyJLJWIUSTGOLUAS-OCCSQVGLSA-N
XLogP2.81
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1S,4R)-2-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.2.1]heptan-3-one with MolForge

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Related Compounds

(1R,4S)-2-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.2.1]heptan-3-one
CID 162748210
N-(1-ethyl-5-methylpyrazol-4-yl)-6,7-dimethylquinazolin-2-amine
CID 156730609
4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 135374556
(3R)-4-methyl-4-[4-[6-methyl-2-[(5-methyl-1-propylpyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]oxolan-3-ol
CID 156730635
6-chloro-N-(5-methyl-1-propylpyrazol-4-yl)-7-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-2-amine
CID 156730602
N-(5-chloro-1-cyclopropylpyrazol-4-yl)-6-methylquinazolin-2-amine
CID 175796418
[3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone
CID 138710565
N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine
CID 166296665
(4S)-4-methyl-3-[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]quinazolin-7-yl]-1,3-oxazolidin-2-one
CID 162747827
N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 136574257
7-N-(cyclopropylmethyl)-6-fluoro-2-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-2,7-diamine
CID 162748230
N-[1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-5-methylpyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 118288926

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-2-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of (1S,4R)-2-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.2.1]heptan-3-one (CID 162748024) is (1S,4R)-2-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for (1S,4R)-2-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for (1S,4R)-2-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.2.1]heptan-3-one is CCn1ncc(Nc2ncc3ccc(N4C(=O)[C@@H]5CC[C@H]4C5)nc3n2)c1C.
What is the InChIKey of (1S,4R)-2-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is JLJWIUSTGOLUAS-OCCSQVGLSA-N. The full InChI is InChI=1S/C19H21N7O/c1-3-25-11(2)15(10-21-25)22-19-20-9-13-5-7-16(23-17(13)24-19)26-14-6-4-12(8-14)18(26)27/h5,7,9-10,12,14H,3-4,6,8H2,1-2H3,(H,20,22,23,24)/t12-,14+/m1/s1.
What are the key properties of (1S,4R)-2-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.2.1]heptan-3-one?
(1S,4R)-2-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 363.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-2-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 162748024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).