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

C19H25N7 — CID 73057201

IUPACcis-(1S,2R)-2-N-[8-(1-propan-2-ylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
SMILESCC(C)n1cc(-c2cncc3cnc(N[C@@H]4CCCC[C@@H]4N)nc23)cn1
InChIInChI=1S/C19H25N7/c1-12(2)26-11-14(9-23-26)15-10-21-7-13-8-22-19(25-18(13)15)24-17-6-4-3-5-16(17)20/h7-12,16-17H,3-6,20H2,1-2H3,(H,22,24,25)/t16-,17+/m0/s1
InChIKeyMGRNTUZOTZVUDV-DLBZAZTESA-N
MW351.46 g/mol
LogP3.15
Rot. Bonds4

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

cis-(1S,2R)-2-N-[8-(1-propan-2-ylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine (PubChem CID 73057201) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is cis-(1S,2R)-2-N-[8-(1-propan-2-ylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1S,2R)-2-N-[8-(1-propan-2-ylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
PubChem CID73057201
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Namecis-(1S,2R)-2-N-[8-(1-propan-2-ylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
SMILESCC(C)n1cc(-c2cncc3cnc(N[C@@H]4CCCC[C@@H]4N)nc23)cn1
InChIInChI=1S/C19H25N7/c1-12(2)26-11-14(9-23-26)15-10-21-7-13-8-22-19(25-18(13)15)24-17-6-4-3-5-16(17)20/h7-12,16-17H,3-6,20H2,1-2H3,(H,22,24,25)/t16-,17+/m0/s1
InChIKeyMGRNTUZOTZVUDV-DLBZAZTESA-N
XLogP3.15
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-N-[8-(1-propan-2-ylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
The IUPAC name of 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) is cis-(1S,2R)-2-N-[8-(1-propan-2-ylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1S,2R)-2-N-[8-(1-propan-2-ylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
The canonical SMILES for cis-(1S,2R)-2-N-[8-(1-propan-2-ylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine is CC(C)n1cc(-c2cncc3cnc(N[C@@H]4CCCC[C@@H]4N)nc23)cn1.
What is the InChIKey of cis-(1S,2R)-2-N-[8-(1-propan-2-ylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
The InChIKey is MGRNTUZOTZVUDV-DLBZAZTESA-N. The full InChI is InChI=1S/C19H25N7/c1-12(2)26-11-14(9-23-26)15-10-21-7-13-8-22-19(25-18(13)15)24-17-6-4-3-5-16(17)20/h7-12,16-17H,3-6,20H2,1-2H3,(H,22,24,25)/t16-,17+/m0/s1.
What are the key properties of cis-(1S,2R)-2-N-[8-(1-propan-2-ylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
cis-(1S,2R)-2-N-[8-(1-propan-2-ylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine has a molecular weight of 351.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-N-[8-(1-propan-2-ylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine is sourced from PubChem (CID 73057201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).