N-(1-adamantylmethyl)-2-[(3R)-3-(methylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridine-4-carboxamide

C25H33N5O2 — CID 25096398

IUPACN-(1-adamantylmethyl)-2-[(3R)-3-(methylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCN[C@@H]1CCN(C(=O)c2cc3c(C(=O)NCC45CC6CC(CC(C6)C4)C5)cccn3n2)C1
InChIInChI=1S/C25H33N5O2/c1-26-19-4-6-29(14-19)24(32)21-10-22-20(3-2-5-30(22)28-21)23(31)27-15-25-11-16-7-17(12-25)9-18(8-16)13-25/h2-3,5,10,16-19,26H,4,6-9,11-15H2,1H3,(H,27,31)/t16?,17?,18?,19-,25?/m1/s1
InChIKeyGCUJNOYIKGKGCW-MOSQOHCXSA-N
MW435.57 g/mol
LogP2.71
Rot. Bonds5

About N-(1-adamantylmethyl)-2-[(3R)-3-(methylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridine-4-carboxamide

N-(1-adamantylmethyl)-2-[(3R)-3-(methylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 25096398) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[(3R)-3-(methylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[(3R)-3-(methylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridine-4-carboxamide
PubChem CID25096398
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC NameN-(1-adamantylmethyl)-2-[(3R)-3-(methylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCN[C@@H]1CCN(C(=O)c2cc3c(C(=O)NCC45CC6CC(CC(C6)C4)C5)cccn3n2)C1
InChIInChI=1S/C25H33N5O2/c1-26-19-4-6-29(14-19)24(32)21-10-22-20(3-2-5-30(22)28-21)23(31)27-15-25-11-16-7-17(12-25)9-18(8-16)13-25/h2-3,5,10,16-19,26H,4,6-9,11-15H2,1H3,(H,27,31)/t16?,17?,18?,19-,25?/m1/s1
InChIKeyGCUJNOYIKGKGCW-MOSQOHCXSA-N
XLogP2.71
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[(3R)-3-(methylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[(3R)-3-(methylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridine-4-carboxamide (CID 25096398) is N-(1-adamantylmethyl)-2-[(3R)-3-(methylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[(3R)-3-(methylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[(3R)-3-(methylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridine-4-carboxamide is CN[C@@H]1CCN(C(=O)c2cc3c(C(=O)NCC45CC6CC(CC(C6)C4)C5)cccn3n2)C1.
What is the InChIKey of N-(1-adamantylmethyl)-2-[(3R)-3-(methylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
The InChIKey is GCUJNOYIKGKGCW-MOSQOHCXSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-26-19-4-6-29(14-19)24(32)21-10-22-20(3-2-5-30(22)28-21)23(31)27-15-25-11-16-7-17(12-25)9-18(8-16)13-25/h2-3,5,10,16-19,26H,4,6-9,11-15H2,1H3,(H,27,31)/t16?,17?,18?,19-,25?/m1/s1.
What are the key properties of N-(1-adamantylmethyl)-2-[(3R)-3-(methylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
N-(1-adamantylmethyl)-2-[(3R)-3-(methylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[(3R)-3-(methylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 25096398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).