4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-phenylpyrazolo[5,4-d]pyrimidin-6-amine

C19H16Cl2N6 — CID 58762787

IUPAC4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-phenylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1cnc(Cn2nc(-c3ccccc3)c3c(Cl)nc(N)nc32)c(C)c1Cl
InChIInChI=1S/C19H16Cl2N6/c1-10-8-23-13(11(2)15(10)20)9-27-18-14(17(21)24-19(22)25-18)16(26-27)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H2,22,24,25)
InChIKeyBBPFHMZMOFTZLZ-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.44
Rot. Bonds3

About 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-phenylpyrazolo[5,4-d]pyrimidin-6-amine

4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-phenylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 58762787) has the molecular formula C19H16Cl2N6 and a molecular weight of 399.29 g/mol. Its IUPAC name is 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-phenylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-phenylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID58762787
Molecular FormulaC19H16Cl2N6
Molecular Weight399.29 g/mol
Exact Mass398.08
IUPAC Name4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-phenylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1cnc(Cn2nc(-c3ccccc3)c3c(Cl)nc(N)nc32)c(C)c1Cl
InChIInChI=1S/C19H16Cl2N6/c1-10-8-23-13(11(2)15(10)20)9-27-18-14(17(21)24-19(22)25-18)16(26-27)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H2,22,24,25)
InChIKeyBBPFHMZMOFTZLZ-UHFFFAOYSA-N
XLogP4.44
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-phenylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-phenylpyrazolo[5,4-d]pyrimidin-6-amine (CID 58762787) is 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-phenylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-phenylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-phenylpyrazolo[5,4-d]pyrimidin-6-amine is Cc1cnc(Cn2nc(-c3ccccc3)c3c(Cl)nc(N)nc32)c(C)c1Cl.
What is the InChIKey of 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-phenylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is BBPFHMZMOFTZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N6/c1-10-8-23-13(11(2)15(10)20)9-27-18-14(17(21)24-19(22)25-18)16(26-27)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H2,22,24,25).
What are the key properties of 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-phenylpyrazolo[5,4-d]pyrimidin-6-amine?
4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-phenylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 399.29 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-phenylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 58762787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).