2-methyl-1-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]propan-2-ol

C24H29N7O — CID 127030850

IUPAC2-methyl-1-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]propan-2-ol
SMILESCC(C)c1[nH]nc2c(NCc3ccc(-c4ccccn4)cc3)nc(NCC(C)(C)O)nc12
InChIInChI=1S/C24H29N7O/c1-15(2)19-20-21(31-30-19)22(29-23(28-20)27-14-24(3,4)32)26-13-16-8-10-17(11-9-16)18-7-5-6-12-25-18/h5-12,15,32H,13-14H2,1-4H3,(H,30,31)(H2,26,27,28,29)
InChIKeyBSQNZDHZPYKQMW-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.33
Rot. Bonds8

About 2-methyl-1-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]propan-2-ol

2-methyl-1-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]propan-2-ol (PubChem CID 127030850) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-methyl-1-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]propan-2-ol
PubChem CID127030850
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name2-methyl-1-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]propan-2-ol
SMILESCC(C)c1[nH]nc2c(NCc3ccc(-c4ccccn4)cc3)nc(NCC(C)(C)O)nc12
InChIInChI=1S/C24H29N7O/c1-15(2)19-20-21(31-30-19)22(29-23(28-20)27-14-24(3,4)32)26-13-16-8-10-17(11-9-16)18-7-5-6-12-25-18/h5-12,15,32H,13-14H2,1-4H3,(H,30,31)(H2,26,27,28,29)
InChIKeyBSQNZDHZPYKQMW-UHFFFAOYSA-N
XLogP4.33
TPSA111.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]propan-2-ol (CID 127030850) is 2-methyl-1-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]propan-2-ol is CC(C)c1[nH]nc2c(NCc3ccc(-c4ccccn4)cc3)nc(NCC(C)(C)O)nc12.
What is the InChIKey of 2-methyl-1-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]propan-2-ol?
The InChIKey is BSQNZDHZPYKQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-15(2)19-20-21(31-30-19)22(29-23(28-20)27-14-24(3,4)32)26-13-16-8-10-17(11-9-16)18-7-5-6-12-25-18/h5-12,15,32H,13-14H2,1-4H3,(H,30,31)(H2,26,27,28,29).
What are the key properties of 2-methyl-1-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]propan-2-ol?
2-methyl-1-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]propan-2-ol has a molecular weight of 431.54 g/mol, XLogP of 4.33, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]propan-2-ol is sourced from PubChem (CID 127030850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).