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

C18H23N7 — CID 90038051

IUPAC2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
SMILESCc1nn(C)cc1-c1cncc2cnc(NC3CCCCC3N)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)
InChIKeySEWYDESVFZNQHI-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.42
Rot. Bonds3

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

2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine (PubChem CID 90038051) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
PubChem CID90038051
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
SMILESCc1nn(C)cc1-c1cncc2cnc(NC3CCCCC3N)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)
InChIKeySEWYDESVFZNQHI-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
The IUPAC name of 2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine (CID 90038051) is 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 2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine is Cc1nn(C)cc1-c1cncc2cnc(NC3CCCCC3N)nc12.
What is the InChIKey of 2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
The InChIKey is SEWYDESVFZNQHI-UHFFFAOYSA-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).
What are the key properties of 2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
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 2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine is sourced from PubChem (CID 90038051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).