8-bromo-N-[1-[(1-piperidin-4-yltriazol-4-yl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C17H19BrN10 — CID 134363074

IUPAC8-bromo-N-[1-[(1-piperidin-4-yltriazol-4-yl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESBrc1cccn2nc(Nc3cnn(Cc4cn(C5CCNCC5)nn4)c3)nc12
InChIInChI=1S/C17H19BrN10/c18-15-2-1-7-27-16(15)22-17(24-27)21-12-8-20-26(9-12)10-13-11-28(25-23-13)14-3-5-19-6-4-14/h1-2,7-9,11,14,19H,3-6,10H2,(H,21,24)
InChIKeyBVRMBBSTPBEDQU-UHFFFAOYSA-N
MW443.31 g/mol
LogP2.00
Rot. Bonds5

About 8-bromo-N-[1-[(1-piperidin-4-yltriazol-4-yl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-bromo-N-[1-[(1-piperidin-4-yltriazol-4-yl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 134363074) has the molecular formula C17H19BrN10 and a molecular weight of 443.31 g/mol. Its IUPAC name is 8-bromo-N-[1-[(1-piperidin-4-yltriazol-4-yl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-bromo-N-[1-[(1-piperidin-4-yltriazol-4-yl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID134363074
Molecular FormulaC17H19BrN10
Molecular Weight443.31 g/mol
Exact Mass442.10
IUPAC Name8-bromo-N-[1-[(1-piperidin-4-yltriazol-4-yl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESBrc1cccn2nc(Nc3cnn(Cc4cn(C5CCNCC5)nn4)c3)nc12
InChIInChI=1S/C17H19BrN10/c18-15-2-1-7-27-16(15)22-17(24-27)21-12-8-20-26(9-12)10-13-11-28(25-23-13)14-3-5-19-6-4-14/h1-2,7-9,11,14,19H,3-6,10H2,(H,21,24)
InChIKeyBVRMBBSTPBEDQU-UHFFFAOYSA-N
XLogP2.00
TPSA102.78 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[1-[(1-piperidin-4-yltriazol-4-yl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-bromo-N-[1-[(1-piperidin-4-yltriazol-4-yl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 134363074) is 8-bromo-N-[1-[(1-piperidin-4-yltriazol-4-yl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-bromo-N-[1-[(1-piperidin-4-yltriazol-4-yl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-bromo-N-[1-[(1-piperidin-4-yltriazol-4-yl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Brc1cccn2nc(Nc3cnn(Cc4cn(C5CCNCC5)nn4)c3)nc12.
What is the InChIKey of 8-bromo-N-[1-[(1-piperidin-4-yltriazol-4-yl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is BVRMBBSTPBEDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN10/c18-15-2-1-7-27-16(15)22-17(24-27)21-12-8-20-26(9-12)10-13-11-28(25-23-13)14-3-5-19-6-4-14/h1-2,7-9,11,14,19H,3-6,10H2,(H,21,24).
What are the key properties of 8-bromo-N-[1-[(1-piperidin-4-yltriazol-4-yl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-bromo-N-[1-[(1-piperidin-4-yltriazol-4-yl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 443.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[1-[(1-piperidin-4-yltriazol-4-yl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 134363074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).