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

C22H20N6O3 — CID 175773810

IUPACN-[5-[2-cyano-5-[[(3R)-5-oxopyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OC[C@H]2CNC(=O)C2)cn1
InChIInChI=1S/C22H20N6O3/c23-9-16-7-18(19(11-24-16)31-12-13-5-21(29)25-10-13)15-3-4-28-17(6-15)8-20(27-28)26-22(30)14-1-2-14/h3-4,6-8,11,13-14H,1-2,5,10,12H2,(H,25,29)(H,26,27,30)/t13-/m1/s1
InChIKeyAGRPKMOYDRMQIC-CYBMUJFWSA-N
MW416.44 g/mol
LogP2.13
Rot. Bonds6

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

N-[5-[2-cyano-5-[[(3R)-5-oxopyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 175773810) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[5-[2-cyano-5-[[(3R)-5-oxopyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-cyano-5-[[(3R)-5-oxopyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID175773810
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC NameN-[5-[2-cyano-5-[[(3R)-5-oxopyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OC[C@H]2CNC(=O)C2)cn1
InChIInChI=1S/C22H20N6O3/c23-9-16-7-18(19(11-24-16)31-12-13-5-21(29)25-10-13)15-3-4-28-17(6-15)8-20(27-28)26-22(30)14-1-2-14/h3-4,6-8,11,13-14H,1-2,5,10,12H2,(H,25,29)(H,26,27,30)/t13-/m1/s1
InChIKeyAGRPKMOYDRMQIC-CYBMUJFWSA-N
XLogP2.13
TPSA121.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-cyano-5-[[(3R)-5-oxopyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[2-cyano-5-[[(3R)-5-oxopyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 175773810) is N-[5-[2-cyano-5-[[(3R)-5-oxopyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[2-cyano-5-[[(3R)-5-oxopyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[2-cyano-5-[[(3R)-5-oxopyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is N#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OC[C@H]2CNC(=O)C2)cn1.
What is the InChIKey of N-[5-[2-cyano-5-[[(3R)-5-oxopyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is AGRPKMOYDRMQIC-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H20N6O3/c23-9-16-7-18(19(11-24-16)31-12-13-5-21(29)25-10-13)15-3-4-28-17(6-15)8-20(27-28)26-22(30)14-1-2-14/h3-4,6-8,11,13-14H,1-2,5,10,12H2,(H,25,29)(H,26,27,30)/t13-/m1/s1.
What are the key properties of N-[5-[2-cyano-5-[[(3R)-5-oxopyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[2-cyano-5-[[(3R)-5-oxopyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 416.44 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-cyano-5-[[(3R)-5-oxopyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 175773810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).