1-[[7-[[4-(furan-2-yl)phenyl]methylamino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-2-methylpropan-2-ol

C23H28N6O2 — CID 146479238

IUPAC1-[[7-[[4-(furan-2-yl)phenyl]methylamino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)c1[nH]nc2c(NCc3ccc(-c4ccco4)cc3)nc(NCC(C)(C)O)nc12
InChIInChI=1S/C23H28N6O2/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)25-13-23(3,4)30)24-12-15-7-9-16(10-8-15)17-6-5-11-31-17/h5-11,14,30H,12-13H2,1-4H3,(H,28,29)(H2,24,25,26,27)
InChIKeyDDLFZWWFWHQMGC-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.53
Rot. Bonds8

About 1-[[7-[[4-(furan-2-yl)phenyl]methylamino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-2-methylpropan-2-ol

1-[[7-[[4-(furan-2-yl)phenyl]methylamino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-2-methylpropan-2-ol (PubChem CID 146479238) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 1-[[7-[[4-(furan-2-yl)phenyl]methylamino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[7-[[4-(furan-2-yl)phenyl]methylamino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-2-methylpropan-2-ol
PubChem CID146479238
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name1-[[7-[[4-(furan-2-yl)phenyl]methylamino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)c1[nH]nc2c(NCc3ccc(-c4ccco4)cc3)nc(NCC(C)(C)O)nc12
InChIInChI=1S/C23H28N6O2/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)25-13-23(3,4)30)24-12-15-7-9-16(10-8-15)17-6-5-11-31-17/h5-11,14,30H,12-13H2,1-4H3,(H,28,29)(H2,24,25,26,27)
InChIKeyDDLFZWWFWHQMGC-UHFFFAOYSA-N
XLogP4.53
TPSA111.89 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[[7-[[4-(furan-2-yl)phenyl]methylamino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-2-methylpropan-2-ol 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

5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 177241957
N-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 52951989
1-[4-(furan-2-yl)phenyl]-N-methylmethanamine
CID 7537512
3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 122688235
5-[2-(methylamino)ethylsulfanyl]-3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 155514044
2-[[[5-(3-aminopropylamino)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]methyl]-4-chlorophenol
CID 68761927
5-N-(4-aminocyclohexyl)-7-N-[(3-methoxyphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 68792504
1-[[2-(2-hydroxypropylamino)-4,8-bis[(4-methoxyphenyl)methylamino]pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol
CID 11353339
5-(2-aminocyclohexyl)sulfanyl-3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 155553824
2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
CID 134520334
1-[[9-butan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]-2-methylpropan-2-ol;ethane
CID 142862962
1-[[2-[[(2S)-butan-2-yl]amino]-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol
CID 134520204

Frequently Asked Questions

What is the IUPAC name of 1-[[7-[[4-(furan-2-yl)phenyl]methylamino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[7-[[4-(furan-2-yl)phenyl]methylamino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-2-methylpropan-2-ol (CID 146479238) is 1-[[7-[[4-(furan-2-yl)phenyl]methylamino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[7-[[4-(furan-2-yl)phenyl]methylamino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[7-[[4-(furan-2-yl)phenyl]methylamino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-2-methylpropan-2-ol is CC(C)c1[nH]nc2c(NCc3ccc(-c4ccco4)cc3)nc(NCC(C)(C)O)nc12.
What is the InChIKey of 1-[[7-[[4-(furan-2-yl)phenyl]methylamino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-2-methylpropan-2-ol?
The InChIKey is DDLFZWWFWHQMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)25-13-23(3,4)30)24-12-15-7-9-16(10-8-15)17-6-5-11-31-17/h5-11,14,30H,12-13H2,1-4H3,(H,28,29)(H2,24,25,26,27).
What are the key properties of 1-[[7-[[4-(furan-2-yl)phenyl]methylamino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-2-methylpropan-2-ol?
1-[[7-[[4-(furan-2-yl)phenyl]methylamino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-2-methylpropan-2-ol has a molecular weight of 420.52 g/mol, XLogP of 4.53, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-[[4-(furan-2-yl)phenyl]methylamino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 146479238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).