4-amino-7-[(6-methyl-3-pyridinyl)methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

C16H15N7O — CID 147919325

IUPAC4-amino-7-[(6-methyl-3-pyridinyl)methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1ccc(CN2C(=O)Cc3c(N)nc(-n4cccn4)nc32)cn1
InChIInChI=1S/C16H15N7O/c1-10-3-4-11(8-18-10)9-22-13(24)7-12-14(17)20-16(21-15(12)22)23-6-2-5-19-23/h2-6,8H,7,9H2,1H3,(H2,17,20,21)
InChIKeyIHSBVKCCKHIMLA-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.04
Rot. Bonds3

About 4-amino-7-[(6-methyl-3-pyridinyl)methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-7-[(6-methyl-3-pyridinyl)methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 147919325) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-amino-7-[(6-methyl-3-pyridinyl)methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-7-[(6-methyl-3-pyridinyl)methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID147919325
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name4-amino-7-[(6-methyl-3-pyridinyl)methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1ccc(CN2C(=O)Cc3c(N)nc(-n4cccn4)nc32)cn1
InChIInChI=1S/C16H15N7O/c1-10-3-4-11(8-18-10)9-22-13(24)7-12-14(17)20-16(21-15(12)22)23-6-2-5-19-23/h2-6,8H,7,9H2,1H3,(H2,17,20,21)
InChIKeyIHSBVKCCKHIMLA-UHFFFAOYSA-N
XLogP1.04
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-[(6-methyl-3-pyridinyl)methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-7-[(6-methyl-3-pyridinyl)methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 147919325) is 4-amino-7-[(6-methyl-3-pyridinyl)methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-7-[(6-methyl-3-pyridinyl)methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-7-[(6-methyl-3-pyridinyl)methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1ccc(CN2C(=O)Cc3c(N)nc(-n4cccn4)nc32)cn1.
What is the InChIKey of 4-amino-7-[(6-methyl-3-pyridinyl)methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is IHSBVKCCKHIMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-10-3-4-11(8-18-10)9-22-13(24)7-12-14(17)20-16(21-15(12)22)23-6-2-5-19-23/h2-6,8H,7,9H2,1H3,(H2,17,20,21).
What are the key properties of 4-amino-7-[(6-methyl-3-pyridinyl)methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-7-[(6-methyl-3-pyridinyl)methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 321.34 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-[(6-methyl-3-pyridinyl)methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 147919325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).