N-[1-[4-[1-(oxetan-3-yl)-6-oxopyrimidin-5-yl]phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide

C25H25N7O3 — CID 163458272

IUPACN-[1-[4-[1-(oxetan-3-yl)-6-oxopyrimidin-5-yl]phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide
SMILESCC(C)n1ncc2cnc(C(=O)NC3(c4ccc(-c5cncn(C6COC6)c5=O)cc4)CC3)nc21
InChIInChI=1S/C25H25N7O3/c1-15(2)32-22-17(10-28-32)9-27-21(29-22)23(33)30-25(7-8-25)18-5-3-16(4-6-18)20-11-26-14-31(24(20)34)19-12-35-13-19/h3-6,9-11,14-15,19H,7-8,12-13H2,1-2H3,(H,30,33)
InChIKeyBMJKJKDNGONBAU-UHFFFAOYSA-N
MW471.52 g/mol
LogP2.62
Rot. Bonds6

About N-[1-[4-[1-(oxetan-3-yl)-6-oxopyrimidin-5-yl]phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide

N-[1-[4-[1-(oxetan-3-yl)-6-oxopyrimidin-5-yl]phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 163458272) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-[1-[4-[1-(oxetan-3-yl)-6-oxopyrimidin-5-yl]phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[1-(oxetan-3-yl)-6-oxopyrimidin-5-yl]phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID163458272
Molecular FormulaC25H25N7O3
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC NameN-[1-[4-[1-(oxetan-3-yl)-6-oxopyrimidin-5-yl]phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide
SMILESCC(C)n1ncc2cnc(C(=O)NC3(c4ccc(-c5cncn(C6COC6)c5=O)cc4)CC3)nc21
InChIInChI=1S/C25H25N7O3/c1-15(2)32-22-17(10-28-32)9-27-21(29-22)23(33)30-25(7-8-25)18-5-3-16(4-6-18)20-11-26-14-31(24(20)34)19-12-35-13-19/h3-6,9-11,14-15,19H,7-8,12-13H2,1-2H3,(H,30,33)
InChIKeyBMJKJKDNGONBAU-UHFFFAOYSA-N
XLogP2.62
TPSA116.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-[4-[1-(oxetan-3-yl)-6-oxopyrimidin-5-yl]phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide 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 N-[1-[4-[1-(oxetan-3-yl)-6-oxopyrimidin-5-yl]phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[1-[4-[1-(oxetan-3-yl)-6-oxopyrimidin-5-yl]phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide (CID 163458272) is N-[1-[4-[1-(oxetan-3-yl)-6-oxopyrimidin-5-yl]phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[1-[4-[1-(oxetan-3-yl)-6-oxopyrimidin-5-yl]phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[1-[4-[1-(oxetan-3-yl)-6-oxopyrimidin-5-yl]phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide is CC(C)n1ncc2cnc(C(=O)NC3(c4ccc(-c5cncn(C6COC6)c5=O)cc4)CC3)nc21.
What is the InChIKey of N-[1-[4-[1-(oxetan-3-yl)-6-oxopyrimidin-5-yl]phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is BMJKJKDNGONBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3/c1-15(2)32-22-17(10-28-32)9-27-21(29-22)23(33)30-25(7-8-25)18-5-3-16(4-6-18)20-11-26-14-31(24(20)34)19-12-35-13-19/h3-6,9-11,14-15,19H,7-8,12-13H2,1-2H3,(H,30,33).
What are the key properties of N-[1-[4-[1-(oxetan-3-yl)-6-oxopyrimidin-5-yl]phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide?
N-[1-[4-[1-(oxetan-3-yl)-6-oxopyrimidin-5-yl]phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-(oxetan-3-yl)-6-oxopyrimidin-5-yl]phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 163458272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).