N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[2-fluoro-3-methoxy-4-(1-methylpyrazol-3-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C24H22FN7O2 — CID 155803038

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-6-[2-fluoro-3-methoxy-4-(1-methylpyrazol-3-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1c(-c2ccn(C)n2)ccc(-c2ccc3c(C(=O)N[C@@H]4CCN(C#N)C4)cnn3c2)c1F
InChIInChI=1S/C24H22FN7O2/c1-30-9-8-20(29-30)18-5-4-17(22(25)23(18)34-2)15-3-6-21-19(11-27-32(21)12-15)24(33)28-16-7-10-31(13-16)14-26/h3-6,8-9,11-12,16H,7,10,13H2,1-2H3,(H,28,33)/t16-/m1/s1
InChIKeyLZNBNTCAQYDKAJ-MRXNPFEDSA-N
MW459.49 g/mol
LogP2.83
Rot. Bonds5

About N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[2-fluoro-3-methoxy-4-(1-methylpyrazol-3-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[2-fluoro-3-methoxy-4-(1-methylpyrazol-3-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 155803038) has the molecular formula C24H22FN7O2 and a molecular weight of 459.49 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[2-fluoro-3-methoxy-4-(1-methylpyrazol-3-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-6-[2-fluoro-3-methoxy-4-(1-methylpyrazol-3-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID155803038
Molecular FormulaC24H22FN7O2
Molecular Weight459.49 g/mol
Exact Mass459.18
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-6-[2-fluoro-3-methoxy-4-(1-methylpyrazol-3-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1c(-c2ccn(C)n2)ccc(-c2ccc3c(C(=O)N[C@@H]4CCN(C#N)C4)cnn3c2)c1F
InChIInChI=1S/C24H22FN7O2/c1-30-9-8-20(29-30)18-5-4-17(22(25)23(18)34-2)15-3-6-21-19(11-27-32(21)12-15)24(33)28-16-7-10-31(13-16)14-26/h3-6,8-9,11-12,16H,7,10,13H2,1-2H3,(H,28,33)/t16-/m1/s1
InChIKeyLZNBNTCAQYDKAJ-MRXNPFEDSA-N
XLogP2.83
TPSA100.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[2-fluoro-3-methoxy-4-(1-methylpyrazol-3-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[2-fluoro-3-methoxy-4-(1-methylpyrazol-3-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 155803038) is N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[2-fluoro-3-methoxy-4-(1-methylpyrazol-3-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[2-fluoro-3-methoxy-4-(1-methylpyrazol-3-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[2-fluoro-3-methoxy-4-(1-methylpyrazol-3-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is COc1c(-c2ccn(C)n2)ccc(-c2ccc3c(C(=O)N[C@@H]4CCN(C#N)C4)cnn3c2)c1F.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[2-fluoro-3-methoxy-4-(1-methylpyrazol-3-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is LZNBNTCAQYDKAJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H22FN7O2/c1-30-9-8-20(29-30)18-5-4-17(22(25)23(18)34-2)15-3-6-21-19(11-27-32(21)12-15)24(33)28-16-7-10-31(13-16)14-26/h3-6,8-9,11-12,16H,7,10,13H2,1-2H3,(H,28,33)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[2-fluoro-3-methoxy-4-(1-methylpyrazol-3-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[2-fluoro-3-methoxy-4-(1-methylpyrazol-3-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 459.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-6-[2-fluoro-3-methoxy-4-(1-methylpyrazol-3-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 155803038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).