cis-(1R,2S)-2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine

C18H23N7 — CID 118274716

IUPACcis-(1R,2S)-2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
SMILESCc1nn(C)cc1-c1cncc2cnc(N[C@H]3CCCC[C@H]3N)nc12
InChIInChI=1S/C18H23N7/c1-11-14(10-25(2)24-11)13-9-20-7-12-8-21-18(23-17(12)13)22-16-6-4-3-5-15(16)19/h7-10,15-16H,3-6,19H2,1-2H3,(H,21,22,23)/t15-,16+/m1/s1
InChIKeySEWYDESVFZNQHI-CVEARBPZSA-N
MW337.43 g/mol
LogP2.42
Rot. Bonds3

About cis-(1R,2S)-2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine

cis-(1R,2S)-2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine (PubChem CID 118274716) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is cis-(1R,2S)-2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1R,2S)-2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
PubChem CID118274716
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Namecis-(1R,2S)-2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
SMILESCc1nn(C)cc1-c1cncc2cnc(N[C@H]3CCCC[C@H]3N)nc12
InChIInChI=1S/C18H23N7/c1-11-14(10-25(2)24-11)13-9-20-7-12-8-21-18(23-17(12)13)22-16-6-4-3-5-15(16)19/h7-10,15-16H,3-6,19H2,1-2H3,(H,21,22,23)/t15-,16+/m1/s1
InChIKeySEWYDESVFZNQHI-CVEARBPZSA-N
XLogP2.42
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
CID 90038051
cis-(1S,2R)-2-N-[8-(1-propan-2-ylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
CID 73057201
cis-(1R,2S)-2-N-[8-(5-fluoro-1H-indol-3-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
CID 118274748
2-N-[8-(5-fluoro-1H-indol-3-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
CID 123988721
cis-(1S,2R)-2-N-[8-(6-fluoro-1H-indol-2-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
CID 73057812
3-[2-[[(1R)-2-aminocyclohexyl]amino]pyrido[4,3-d]pyrimidin-8-yl]-1H-indole-6-carbonitrile
CID 118283552
2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol
CID 123931498
trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine
CID 93453704
ethyl 2-[(2-aminocycloheptyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83180712
2-N-[(1S,2R)-2-aminocyclohexyl]-8-(3-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
CID 73056891
2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine
CID 114787028
2-[[(1S,2S)-2-aminocyclohexyl]amino]thieno[3,2-d]pyrimidine-7-carboxylic acid
CID 142770313

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
The IUPAC name of cis-(1R,2S)-2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine (CID 118274716) is cis-(1R,2S)-2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1R,2S)-2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
The canonical SMILES for cis-(1R,2S)-2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine is Cc1nn(C)cc1-c1cncc2cnc(N[C@H]3CCCC[C@H]3N)nc12.
What is the InChIKey of cis-(1R,2S)-2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
The InChIKey is SEWYDESVFZNQHI-CVEARBPZSA-N. The full InChI is InChI=1S/C18H23N7/c1-11-14(10-25(2)24-11)13-9-20-7-12-8-21-18(23-17(12)13)22-16-6-4-3-5-15(16)19/h7-10,15-16H,3-6,19H2,1-2H3,(H,21,22,23)/t15-,16+/m1/s1.
What are the key properties of cis-(1R,2S)-2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
cis-(1R,2S)-2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine has a molecular weight of 337.43 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine is sourced from PubChem (CID 118274716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).