N-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide

C27H28N6O2 — CID 147142300

IUPACN-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide
SMILESC#CC(=O)NC1(CC)CC2CC(C1)C2Nc1ccc(-c2cc(OCC)cn3ncc(C#N)c23)cn1
InChIInChI=1S/C27H28N6O2/c1-4-24(34)32-27(5-2)11-18-9-19(12-27)25(18)31-23-8-7-17(14-29-23)22-10-21(35-6-3)16-33-26(22)20(13-28)15-30-33/h1,7-8,10,14-16,18-19,25H,5-6,9,11-12H2,2-3H3,(H,29,31)(H,32,34)
InChIKeyBSJDQKPNYKDSRZ-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.78
Rot. Bonds7

About N-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide

N-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide (PubChem CID 147142300) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide
PubChem CID147142300
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC NameN-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide
SMILESC#CC(=O)NC1(CC)CC2CC(C1)C2Nc1ccc(-c2cc(OCC)cn3ncc(C#N)c23)cn1
InChIInChI=1S/C27H28N6O2/c1-4-24(34)32-27(5-2)11-18-9-19(12-27)25(18)31-23-8-7-17(14-29-23)22-10-21(35-6-3)16-33-26(22)20(13-28)15-30-33/h1,7-8,10,14-16,18-19,25H,5-6,9,11-12H2,2-3H3,(H,29,31)(H,32,34)
InChIKeyBSJDQKPNYKDSRZ-UHFFFAOYSA-N
XLogP3.78
TPSA104.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide with MolForge

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Related Compounds

N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide
CID 146660327
N-[5-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-2-methyl-2-bicyclo[2.2.2]octanyl]prop-2-ynamide
CID 146667821
6-ethoxy-4-[6-[(5S)-6-[(5-methoxypyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 153317960
N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methylpiperidin-3-yl]prop-2-ynamide
CID 146667096
6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146627105
4-[6-[[1-(4-ethenylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667787
4-[6-[(1R,3S)-5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175729045
N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-2-cyclopropyl-4-methylpiperidin-4-yl]acetamide
CID 146667078
6-ethoxy-4-[6-[6-(2-methoxyethoxy)-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435654
4-[6-(2-acetyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667036
6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668359
1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea
CID 146667825

Frequently Asked Questions

What is the IUPAC name of N-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide?
The IUPAC name of N-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide (CID 147142300) is N-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide.
What is the SMILES notation for N-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide?
The canonical SMILES for N-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide is C#CC(=O)NC1(CC)CC2CC(C1)C2Nc1ccc(-c2cc(OCC)cn3ncc(C#N)c23)cn1.
What is the InChIKey of N-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide?
The InChIKey is BSJDQKPNYKDSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-4-24(34)32-27(5-2)11-18-9-19(12-27)25(18)31-23-8-7-17(14-29-23)22-10-21(35-6-3)16-33-26(22)20(13-28)15-30-33/h1,7-8,10,14-16,18-19,25H,5-6,9,11-12H2,2-3H3,(H,29,31)(H,32,34).
What are the key properties of N-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide?
N-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide has a molecular weight of 468.56 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide is sourced from PubChem (CID 147142300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).