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

C24H25N7O2 — CID 166981647

IUPACN-[1-[3-methyl-4-(1-methyl-6-oxopyrimidin-5-yl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1cc(C2(NC(=O)c3ncc4cnn(C(C)C)c4n3)CC2)ccc1-c1cncn(C)c1=O
InChIInChI=1S/C24H25N7O2/c1-14(2)31-21-16(11-27-31)10-26-20(28-21)22(32)29-24(7-8-24)17-5-6-18(15(3)9-17)19-12-25-13-30(4)23(19)33/h5-6,9-14H,7-8H2,1-4H3,(H,29,32)
InChIKeyCCGBXUZQGDMOEW-UHFFFAOYSA-N
MW443.51 g/mol
LogP2.90
Rot. Bonds5

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

N-[1-[3-methyl-4-(1-methyl-6-oxopyrimidin-5-yl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 166981647) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[1-[3-methyl-4-(1-methyl-6-oxopyrimidin-5-yl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[1-[3-methyl-4-(1-methyl-6-oxopyrimidin-5-yl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID166981647
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC NameN-[1-[3-methyl-4-(1-methyl-6-oxopyrimidin-5-yl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1cc(C2(NC(=O)c3ncc4cnn(C(C)C)c4n3)CC2)ccc1-c1cncn(C)c1=O
InChIInChI=1S/C24H25N7O2/c1-14(2)31-21-16(11-27-31)10-26-20(28-21)22(32)29-24(7-8-24)17-5-6-18(15(3)9-17)19-12-25-13-30(4)23(19)33/h5-6,9-14H,7-8H2,1-4H3,(H,29,32)
InChIKeyCCGBXUZQGDMOEW-UHFFFAOYSA-N
XLogP2.90
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methyl-4-(1-methyl-6-oxopyrimidin-5-yl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[1-[3-methyl-4-(1-methyl-6-oxopyrimidin-5-yl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide (CID 166981647) is N-[1-[3-methyl-4-(1-methyl-6-oxopyrimidin-5-yl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[1-[3-methyl-4-(1-methyl-6-oxopyrimidin-5-yl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[1-[3-methyl-4-(1-methyl-6-oxopyrimidin-5-yl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide is Cc1cc(C2(NC(=O)c3ncc4cnn(C(C)C)c4n3)CC2)ccc1-c1cncn(C)c1=O.
What is the InChIKey of N-[1-[3-methyl-4-(1-methyl-6-oxopyrimidin-5-yl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is CCGBXUZQGDMOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-14(2)31-21-16(11-27-31)10-26-20(28-21)22(32)29-24(7-8-24)17-5-6-18(15(3)9-17)19-12-25-13-30(4)23(19)33/h5-6,9-14H,7-8H2,1-4H3,(H,29,32).
What are the key properties of N-[1-[3-methyl-4-(1-methyl-6-oxopyrimidin-5-yl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide?
N-[1-[3-methyl-4-(1-methyl-6-oxopyrimidin-5-yl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methyl-4-(1-methyl-6-oxopyrimidin-5-yl)phenyl]cyclopropyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 166981647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).