2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3R)-3-phenylpiperidin-1-yl]cyclopropane-1-carbaldehyde

C26H30N4O3 — CID 89183362

IUPAC2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3R)-3-phenylpiperidin-1-yl]cyclopropane-1-carbaldehyde
SMILESO=CC1(N2CCC[C@H](c3ccccc3)C2)CC1c1[nH]nc2ccnc(OC3CCOCC3)c12
InChIInChI=1S/C26H30N4O3/c31-17-26(30-12-4-7-19(16-30)18-5-2-1-3-6-18)15-21(26)24-23-22(28-29-24)8-11-27-25(23)33-20-9-13-32-14-10-20/h1-3,5-6,8,11,17,19-21H,4,7,9-10,12-16H2,(H,28,29)/t19-,21?,26?/m0/s1
InChIKeySLZGTVBDIHMBKT-SFGGNAAOSA-N
MW446.55 g/mol
LogP3.82
Rot. Bonds6

About 2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3R)-3-phenylpiperidin-1-yl]cyclopropane-1-carbaldehyde

2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3R)-3-phenylpiperidin-1-yl]cyclopropane-1-carbaldehyde (PubChem CID 89183362) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3R)-3-phenylpiperidin-1-yl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3R)-3-phenylpiperidin-1-yl]cyclopropane-1-carbaldehyde
PubChem CID89183362
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3R)-3-phenylpiperidin-1-yl]cyclopropane-1-carbaldehyde
SMILESO=CC1(N2CCC[C@H](c3ccccc3)C2)CC1c1[nH]nc2ccnc(OC3CCOCC3)c12
InChIInChI=1S/C26H30N4O3/c31-17-26(30-12-4-7-19(16-30)18-5-2-1-3-6-18)15-21(26)24-23-22(28-29-24)8-11-27-25(23)33-20-9-13-32-14-10-20/h1-3,5-6,8,11,17,19-21H,4,7,9-10,12-16H2,(H,28,29)/t19-,21?,26?/m0/s1
InChIKeySLZGTVBDIHMBKT-SFGGNAAOSA-N
XLogP3.82
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3R)-3-phenylpiperidin-1-yl]cyclopropane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

13-Methyl-11-pyridin-3-yl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12,15-pentaen-9-amine
CID 145961624
4-cyclohexyloxy-3-cyclopropyl-2H-pyrazolo[4,3-c]pyridine
CID 56941056
piperidin-1-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone
CID 56941507
N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide
CID 56941659
morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]methanone
CID 56941932
3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 56942219
3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 56942364
3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 56942365
3-cyclopropyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine
CID 66826674
2-fluoro-N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
CID 66828936
N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
CID 66828937
N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
CID 66828941

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3R)-3-phenylpiperidin-1-yl]cyclopropane-1-carbaldehyde?
The IUPAC name of 2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3R)-3-phenylpiperidin-1-yl]cyclopropane-1-carbaldehyde (CID 89183362) is 2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3R)-3-phenylpiperidin-1-yl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3R)-3-phenylpiperidin-1-yl]cyclopropane-1-carbaldehyde?
The canonical SMILES for 2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3R)-3-phenylpiperidin-1-yl]cyclopropane-1-carbaldehyde is O=CC1(N2CCC[C@H](c3ccccc3)C2)CC1c1[nH]nc2ccnc(OC3CCOCC3)c12.
What is the InChIKey of 2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3R)-3-phenylpiperidin-1-yl]cyclopropane-1-carbaldehyde?
The InChIKey is SLZGTVBDIHMBKT-SFGGNAAOSA-N. The full InChI is InChI=1S/C26H30N4O3/c31-17-26(30-12-4-7-19(16-30)18-5-2-1-3-6-18)15-21(26)24-23-22(28-29-24)8-11-27-25(23)33-20-9-13-32-14-10-20/h1-3,5-6,8,11,17,19-21H,4,7,9-10,12-16H2,(H,28,29)/t19-,21?,26?/m0/s1.
What are the key properties of 2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3R)-3-phenylpiperidin-1-yl]cyclopropane-1-carbaldehyde?
2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3R)-3-phenylpiperidin-1-yl]cyclopropane-1-carbaldehyde has a molecular weight of 446.55 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3R)-3-phenylpiperidin-1-yl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 89183362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).