N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide

C26H26N8O — CID 164818225

IUPACN-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide
SMILESCn1cc(-c2cc(-c3ccc(N4C[C@@H]5CC(C)(NC=O)C[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C26H26N8O/c1-26(29-16-35)6-19-13-33(14-20(19)7-26)24-4-3-17(9-28-24)23-5-18(22-11-30-32(2)12-22)15-34-25(23)21(8-27)10-31-34/h3-5,9-12,15-16,19-20H,6-7,13-14H2,1-2H3,(H,29,35)/t19-,20+,26?
InChIKeyBNVIZMOWDMPKMX-NJEHHLDASA-N
MW466.55 g/mol
LogP3.02
Rot. Bonds5

About N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide

N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide (PubChem CID 164818225) has the molecular formula C26H26N8O and a molecular weight of 466.55 g/mol. Its IUPAC name is N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide.

Molecular Properties

Compound NameN-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide
PubChem CID164818225
Molecular FormulaC26H26N8O
Molecular Weight466.55 g/mol
Exact Mass466.22
IUPAC NameN-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide
SMILESCn1cc(-c2cc(-c3ccc(N4C[C@@H]5CC(C)(NC=O)C[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C26H26N8O/c1-26(29-16-35)6-19-13-33(14-20(19)7-26)24-4-3-17(9-28-24)23-5-18(22-11-30-32(2)12-22)15-34-25(23)21(8-27)10-31-34/h3-5,9-12,15-16,19-20H,6-7,13-14H2,1-2H3,(H,29,35)/t19-,20+,26?
InChIKeyBNVIZMOWDMPKMX-NJEHHLDASA-N
XLogP3.02
TPSA104.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide with MolForge

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Related Compounds

N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide
CID 155388144
4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
CID 155388164
4-[6-[(3aS,6aR)-5-(2-hydroxy-3-methylbutanoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 163209163
4-[6-[3-(3-methylbutanoyl)azetidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 148588612
6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-1-enylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175933963
N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-methylbutanamide
CID 155406302
4-[6-[(3aS,6aR)-5-(2-chloro-6-fluorobenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 163209183
chloro hypochlorite;6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155267110
4-[6-[4-(3-fluoropyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740138
4-[6-[4-(2,2-dimethylpropylsulfonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126752966
4-[6-(1,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740258
tert-butyl-[7-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid
CID 155267238

Frequently Asked Questions

What is the IUPAC name of N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide?
The IUPAC name of N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide (CID 164818225) is N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide.
What is the SMILES notation for N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide?
The canonical SMILES for N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide is Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5CC(C)(NC=O)C[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide?
The InChIKey is BNVIZMOWDMPKMX-NJEHHLDASA-N. The full InChI is InChI=1S/C26H26N8O/c1-26(29-16-35)6-19-13-33(14-20(19)7-26)24-4-3-17(9-28-24)23-5-18(22-11-30-32(2)12-22)15-34-25(23)21(8-27)10-31-34/h3-5,9-12,15-16,19-20H,6-7,13-14H2,1-2H3,(H,29,35)/t19-,20+,26?.
What are the key properties of N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide?
N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide has a molecular weight of 466.55 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide is sourced from PubChem (CID 164818225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).