5-chloro-4-(1-methylpyrazol-4-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine

C18H16ClN7 — CID 117077481

IUPAC5-chloro-4-(1-methylpyrazol-4-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
SMILESCc1ncn(-c2ccc(Nc3cc(-c4cnn(C)c4)c(Cl)cn3)cc2)n1
InChIInChI=1S/C18H16ClN7/c1-12-21-11-26(24-12)15-5-3-14(4-6-15)23-18-7-16(17(19)9-20-18)13-8-22-25(2)10-13/h3-11H,1-2H3,(H,20,23)
InChIKeyRTRPEQCDMANDDX-UHFFFAOYSA-N
MW365.83 g/mol
LogP3.77
Rot. Bonds4

About 5-chloro-4-(1-methylpyrazol-4-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine

5-chloro-4-(1-methylpyrazol-4-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine (PubChem CID 117077481) has the molecular formula C18H16ClN7 and a molecular weight of 365.83 g/mol. Its IUPAC name is 5-chloro-4-(1-methylpyrazol-4-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(1-methylpyrazol-4-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
PubChem CID117077481
Molecular FormulaC18H16ClN7
Molecular Weight365.83 g/mol
Exact Mass365.12
IUPAC Name5-chloro-4-(1-methylpyrazol-4-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
SMILESCc1ncn(-c2ccc(Nc3cc(-c4cnn(C)c4)c(Cl)cn3)cc2)n1
InChIInChI=1S/C18H16ClN7/c1-12-21-11-26(24-12)15-5-3-14(4-6-15)23-18-7-16(17(19)9-20-18)13-8-22-25(2)10-13/h3-11H,1-2H3,(H,20,23)
InChIKeyRTRPEQCDMANDDX-UHFFFAOYSA-N
XLogP3.77
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.83
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1-methylpyrazol-4-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The IUPAC name of 5-chloro-4-(1-methylpyrazol-4-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine (CID 117077481) is 5-chloro-4-(1-methylpyrazol-4-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-(1-methylpyrazol-4-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-4-(1-methylpyrazol-4-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine is Cc1ncn(-c2ccc(Nc3cc(-c4cnn(C)c4)c(Cl)cn3)cc2)n1.
What is the InChIKey of 5-chloro-4-(1-methylpyrazol-4-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The InChIKey is RTRPEQCDMANDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN7/c1-12-21-11-26(24-12)15-5-3-14(4-6-15)23-18-7-16(17(19)9-20-18)13-8-22-25(2)10-13/h3-11H,1-2H3,(H,20,23).
What are the key properties of 5-chloro-4-(1-methylpyrazol-4-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
5-chloro-4-(1-methylpyrazol-4-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine has a molecular weight of 365.83 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1-methylpyrazol-4-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 117077481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).