N-[5-[2-cyano-5-(pyridin-3-ylmethoxy)-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C23H18N6O2 — CID 164605667

IUPACN-[5-[2-cyano-5-(pyridin-3-ylmethoxy)-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OCc2cccnc2)cn1
InChIInChI=1S/C23H18N6O2/c24-11-18-9-20(21(13-26-18)31-14-15-2-1-6-25-12-15)17-5-7-29-19(8-17)10-22(28-29)27-23(30)16-3-4-16/h1-2,5-10,12-13,16H,3-4,14H2,(H,27,28,30)
InChIKeyVRPGIZWEKMAAFJ-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.59
Rot. Bonds6

About N-[5-[2-cyano-5-(pyridin-3-ylmethoxy)-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[2-cyano-5-(pyridin-3-ylmethoxy)-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 164605667) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is N-[5-[2-cyano-5-(pyridin-3-ylmethoxy)-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-cyano-5-(pyridin-3-ylmethoxy)-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID164605667
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC NameN-[5-[2-cyano-5-(pyridin-3-ylmethoxy)-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OCc2cccnc2)cn1
InChIInChI=1S/C23H18N6O2/c24-11-18-9-20(21(13-26-18)31-14-15-2-1-6-25-12-15)17-5-7-29-19(8-17)10-22(28-29)27-23(30)16-3-4-16/h1-2,5-10,12-13,16H,3-4,14H2,(H,27,28,30)
InChIKeyVRPGIZWEKMAAFJ-UHFFFAOYSA-N
XLogP3.59
TPSA105.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-cyano-5-(pyridin-3-ylmethoxy)-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[2-cyano-5-(pyridin-3-ylmethoxy)-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 164605667) is N-[5-[2-cyano-5-(pyridin-3-ylmethoxy)-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[2-cyano-5-(pyridin-3-ylmethoxy)-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[2-cyano-5-(pyridin-3-ylmethoxy)-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is N#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OCc2cccnc2)cn1.
What is the InChIKey of N-[5-[2-cyano-5-(pyridin-3-ylmethoxy)-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is VRPGIZWEKMAAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c24-11-18-9-20(21(13-26-18)31-14-15-2-1-6-25-12-15)17-5-7-29-19(8-17)10-22(28-29)27-23(30)16-3-4-16/h1-2,5-10,12-13,16H,3-4,14H2,(H,27,28,30).
What are the key properties of N-[5-[2-cyano-5-(pyridin-3-ylmethoxy)-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[2-cyano-5-(pyridin-3-ylmethoxy)-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 410.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-cyano-5-(pyridin-3-ylmethoxy)-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 164605667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).