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

C26H26N6O2 — CID 58374855

IUPACN-[5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(OCc4ccc(N5CCCC5)nc4)cc3)n2n1)C1CC1
InChIInChI=1S/C26H26N6O2/c33-25(20-7-8-20)29-26-28-24-5-3-4-22(32(24)30-26)19-9-11-21(12-10-19)34-17-18-6-13-23(27-16-18)31-14-1-2-15-31/h3-6,9-13,16,20H,1-2,7-8,14-15,17H2,(H,29,30,33)
InChIKeyDHVJPXNMGLBTTQ-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.32
Rot. Bonds7

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

N-[5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374855) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374855
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC NameN-[5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(OCc4ccc(N5CCCC5)nc4)cc3)n2n1)C1CC1
InChIInChI=1S/C26H26N6O2/c33-25(20-7-8-20)29-26-28-24-5-3-4-22(32(24)30-26)19-9-11-21(12-10-19)34-17-18-6-13-23(27-16-18)31-14-1-2-15-31/h3-6,9-13,16,20H,1-2,7-8,14-15,17H2,(H,29,30,33)
InChIKeyDHVJPXNMGLBTTQ-UHFFFAOYSA-N
XLogP4.32
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(6-pyrrolidin-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-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374855) is N-[5-[4-[(6-pyrrolidin-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-pyrrolidin-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-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(N5CCCC5)nc4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is DHVJPXNMGLBTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c33-25(20-7-8-20)29-26-28-24-5-3-4-22(32(24)30-26)19-9-11-21(12-10-19)34-17-18-6-13-23(27-16-18)31-14-1-2-15-31/h3-6,9-13,16,20H,1-2,7-8,14-15,17H2,(H,29,30,33).
What are the key properties of N-[5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).