2-cyclopropyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)-3H-pyrazolo[4,3-c]pyridin-3-ol

C28H32N6O2 — CID 138554161

IUPAC2-cyclopropyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)-3H-pyrazolo[4,3-c]pyridin-3-ol
SMILESCC(C)(O)c1cc(N2c3cc(Nc4ccc5c(c4)CNCC54CC4)ncc3C(O)N2C2CC2)ccn1
InChIInChI=1S/C28H32N6O2/c1-27(2,36)24-12-20(7-10-30-24)33-23-13-25(31-15-21(23)26(35)34(33)19-4-5-19)32-18-3-6-22-17(11-18)14-29-16-28(22)8-9-28/h3,6-7,10-13,15,19,26,29,35-36H,4-5,8-9,14,16H2,1-2H3,(H,31,32)
InChIKeyAQYIEJLSDOKBKE-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.10
Rot. Bonds5

About 2-cyclopropyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)-3H-pyrazolo[4,3-c]pyridin-3-ol

2-cyclopropyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)-3H-pyrazolo[4,3-c]pyridin-3-ol (PubChem CID 138554161) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)-3H-pyrazolo[4,3-c]pyridin-3-ol.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)-3H-pyrazolo[4,3-c]pyridin-3-ol
PubChem CID138554161
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name2-cyclopropyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)-3H-pyrazolo[4,3-c]pyridin-3-ol
SMILESCC(C)(O)c1cc(N2c3cc(Nc4ccc5c(c4)CNCC54CC4)ncc3C(O)N2C2CC2)ccn1
InChIInChI=1S/C28H32N6O2/c1-27(2,36)24-12-20(7-10-30-24)33-23-13-25(31-15-21(23)26(35)34(33)19-4-5-19)32-18-3-6-22-17(11-18)14-29-16-28(22)8-9-28/h3,6-7,10-13,15,19,26,29,35-36H,4-5,8-9,14,16H2,1-2H3,(H,31,32)
InChIKeyAQYIEJLSDOKBKE-UHFFFAOYSA-N
XLogP4.10
TPSA96.78 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-cyclopropyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)-3H-pyrazolo[4,3-c]pyridin-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)-3H-pyrazolo[4,3-c]pyridin-3-ol?
The IUPAC name of 2-cyclopropyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)-3H-pyrazolo[4,3-c]pyridin-3-ol (CID 138554161) is 2-cyclopropyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)-3H-pyrazolo[4,3-c]pyridin-3-ol.
What is the SMILES notation for 2-cyclopropyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)-3H-pyrazolo[4,3-c]pyridin-3-ol?
The canonical SMILES for 2-cyclopropyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)-3H-pyrazolo[4,3-c]pyridin-3-ol is CC(C)(O)c1cc(N2c3cc(Nc4ccc5c(c4)CNCC54CC4)ncc3C(O)N2C2CC2)ccn1.
What is the InChIKey of 2-cyclopropyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)-3H-pyrazolo[4,3-c]pyridin-3-ol?
The InChIKey is AQYIEJLSDOKBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-27(2,36)24-12-20(7-10-30-24)33-23-13-25(31-15-21(23)26(35)34(33)19-4-5-19)32-18-3-6-22-17(11-18)14-29-16-28(22)8-9-28/h3,6-7,10-13,15,19,26,29,35-36H,4-5,8-9,14,16H2,1-2H3,(H,31,32).
What are the key properties of 2-cyclopropyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)-3H-pyrazolo[4,3-c]pyridin-3-ol?
2-cyclopropyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)-3H-pyrazolo[4,3-c]pyridin-3-ol has a molecular weight of 484.60 g/mol, XLogP of 4.10, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)-3H-pyrazolo[4,3-c]pyridin-3-ol is sourced from PubChem (CID 138554161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).