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

C19H18ClN7 — CID 54584564

IUPAC5-chloro-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methylpyrazol-3-yl)pyridin-2-amine
SMILESCc1nc(C)n(-c2ccc(Nc3cc(-c4ccn(C)n4)c(Cl)cn3)cc2)n1
InChIInChI=1S/C19H18ClN7/c1-12-22-13(2)27(24-12)15-6-4-14(5-7-15)23-19-10-16(17(20)11-21-19)18-8-9-26(3)25-18/h4-11H,1-3H3,(H,21,23)
InChIKeyRPLUSWNGTMKDQG-UHFFFAOYSA-N
MW379.86 g/mol
LogP4.08
Rot. Bonds4

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

5-chloro-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methylpyrazol-3-yl)pyridin-2-amine (PubChem CID 54584564) has the molecular formula C19H18ClN7 and a molecular weight of 379.86 g/mol. Its IUPAC name is 5-chloro-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methylpyrazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methylpyrazol-3-yl)pyridin-2-amine
PubChem CID54584564
Molecular FormulaC19H18ClN7
Molecular Weight379.86 g/mol
Exact Mass379.13
IUPAC Name5-chloro-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methylpyrazol-3-yl)pyridin-2-amine
SMILESCc1nc(C)n(-c2ccc(Nc3cc(-c4ccn(C)n4)c(Cl)cn3)cc2)n1
InChIInChI=1S/C19H18ClN7/c1-12-22-13(2)27(24-12)15-6-4-14(5-7-15)23-19-10-16(17(20)11-21-19)18-8-9-26(3)25-18/h4-11H,1-3H3,(H,21,23)
InChIKeyRPLUSWNGTMKDQG-UHFFFAOYSA-N
XLogP4.08
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.86
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methylpyrazol-3-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methylpyrazol-3-yl)pyridin-2-amine (CID 54584564) is 5-chloro-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methylpyrazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methylpyrazol-3-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methylpyrazol-3-yl)pyridin-2-amine is Cc1nc(C)n(-c2ccc(Nc3cc(-c4ccn(C)n4)c(Cl)cn3)cc2)n1.
What is the InChIKey of 5-chloro-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methylpyrazol-3-yl)pyridin-2-amine?
The InChIKey is RPLUSWNGTMKDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7/c1-12-22-13(2)27(24-12)15-6-4-14(5-7-15)23-19-10-16(17(20)11-21-19)18-8-9-26(3)25-18/h4-11H,1-3H3,(H,21,23).
What are the key properties of 5-chloro-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methylpyrazol-3-yl)pyridin-2-amine?
5-chloro-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methylpyrazol-3-yl)pyridin-2-amine has a molecular weight of 379.86 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methylpyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 54584564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).