N-[5-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C27H29N7O2 — CID 58374656

IUPACN-[5-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCN1CCN(c2ccc(COc3ccc(-c4cccc5nc(NC(=O)C6CC6)nn45)cc3)cn2)CC1
InChIInChI=1S/C27H29N7O2/c1-32-13-15-33(16-14-32)24-12-5-19(17-28-24)18-36-22-10-8-20(9-11-22)23-3-2-4-25-29-27(31-34(23)25)30-26(35)21-6-7-21/h2-5,8-12,17,21H,6-7,13-16,18H2,1H3,(H,30,31,35)
InChIKeyOFKDUZDNECNKDN-UHFFFAOYSA-N
MW483.58 g/mol
LogP3.47
Rot. Bonds7

About N-[5-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374656) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is N-[5-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374656
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC NameN-[5-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCN1CCN(c2ccc(COc3ccc(-c4cccc5nc(NC(=O)C6CC6)nn45)cc3)cn2)CC1
InChIInChI=1S/C27H29N7O2/c1-32-13-15-33(16-14-32)24-12-5-19(17-28-24)18-36-22-10-8-20(9-11-22)23-3-2-4-25-29-27(31-34(23)25)30-26(35)21-6-7-21/h2-5,8-12,17,21H,6-7,13-16,18H2,1H3,(H,30,31,35)
InChIKeyOFKDUZDNECNKDN-UHFFFAOYSA-N
XLogP3.47
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374656) is N-[5-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CN1CCN(c2ccc(COc3ccc(-c4cccc5nc(NC(=O)C6CC6)nn45)cc3)cn2)CC1.
What is the InChIKey of N-[5-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is OFKDUZDNECNKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c1-32-13-15-33(16-14-32)24-12-5-19(17-28-24)18-36-22-10-8-20(9-11-22)23-3-2-4-25-29-27(31-34(23)25)30-26(35)21-6-7-21/h2-5,8-12,17,21H,6-7,13-16,18H2,1H3,(H,30,31,35).
What are the key properties of N-[5-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 483.58 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).