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

C23H24N6O2 — CID 164605490

IUPACN-[5-[2-cyano-5-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCN1CC[C@@H](COc2cnc(C#N)cc2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1
InChIInChI=1S/C23H24N6O2/c1-28-6-4-15(13-28)14-31-21-12-25-18(11-24)9-20(21)17-5-7-29-19(8-17)10-22(27-29)26-23(30)16-2-3-16/h5,7-10,12,15-16H,2-4,6,13-14H2,1H3,(H,26,27,30)/t15-/m1/s1
InChIKeyGMHAIVQASIBHJM-OAHLLOKOSA-N
MW416.49 g/mol
LogP2.95
Rot. Bonds6

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

N-[5-[2-cyano-5-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 164605490) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[5-[2-cyano-5-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-cyano-5-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID164605490
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[5-[2-cyano-5-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCN1CC[C@@H](COc2cnc(C#N)cc2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1
InChIInChI=1S/C23H24N6O2/c1-28-6-4-15(13-28)14-31-21-12-25-18(11-24)9-20(21)17-5-7-29-19(8-17)10-22(27-29)26-23(30)16-2-3-16/h5,7-10,12,15-16H,2-4,6,13-14H2,1H3,(H,26,27,30)/t15-/m1/s1
InChIKeyGMHAIVQASIBHJM-OAHLLOKOSA-N
XLogP2.95
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.95
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-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[2-cyano-5-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 164605490) is N-[5-[2-cyano-5-[[(3R)-1-methylpyrrolidin-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)-1-methylpyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[2-cyano-5-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CN1CC[C@@H](COc2cnc(C#N)cc2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1.
What is the InChIKey of N-[5-[2-cyano-5-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is GMHAIVQASIBHJM-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-28-6-4-15(13-28)14-31-21-12-25-18(11-24)9-20(21)17-5-7-29-19(8-17)10-22(27-29)26-23(30)16-2-3-16/h5,7-10,12,15-16H,2-4,6,13-14H2,1H3,(H,26,27,30)/t15-/m1/s1.
What are the key properties of N-[5-[2-cyano-5-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[2-cyano-5-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 416.49 g/mol, XLogP of 2.95, 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-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 164605490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).