N-[5-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C26H23N5O2 — CID 44625693

IUPACN-[5-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCc5ccccc5C4)cc3)n2n1)C1CC1
InChIInChI=1S/C26H23N5O2/c32-24(19-10-11-19)28-26-27-23-7-3-6-22(31(23)29-26)18-8-12-20(13-9-18)25(33)30-15-14-17-4-1-2-5-21(17)16-30/h1-9,12-13,19H,10-11,14-16H2,(H,28,29,32)
InChIKeyRSBGHAXLHKTROG-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.94
Rot. Bonds4

About N-[5-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44625693) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[5-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44625693
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC NameN-[5-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCc5ccccc5C4)cc3)n2n1)C1CC1
InChIInChI=1S/C26H23N5O2/c32-24(19-10-11-19)28-26-27-23-7-3-6-22(31(23)29-26)18-8-12-20(13-9-18)25(33)30-15-14-17-4-1-2-5-21(17)16-30/h1-9,12-13,19H,10-11,14-16H2,(H,28,29,32)
InChIKeyRSBGHAXLHKTROG-UHFFFAOYSA-N
XLogP3.94
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44625693) is N-[5-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCc5ccccc5C4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is RSBGHAXLHKTROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c32-24(19-10-11-19)28-26-27-23-7-3-6-22(31(23)29-26)18-8-12-20(13-9-18)25(33)30-15-14-17-4-1-2-5-21(17)16-30/h1-9,12-13,19H,10-11,14-16H2,(H,28,29,32).
What are the key properties of N-[5-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44625693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).