N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C19H16ClFN6 — CID 118211266

IUPACN-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncnc2[nH]ncc12
InChIInChI=1S/C19H16ClFN6/c1-10(2)13-7-22-16(12-5-11(20)3-4-15(12)21)6-17(13)26-18-14-8-25-27-19(14)24-9-23-18/h3-10H,1-2H3,(H2,22,23,24,25,26,27)
InChIKeyNRALVILIKBNNQX-UHFFFAOYSA-N
MW382.83 g/mol
LogP5.07
Rot. Bonds4

About N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 118211266) has the molecular formula C19H16ClFN6 and a molecular weight of 382.83 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID118211266
Molecular FormulaC19H16ClFN6
Molecular Weight382.83 g/mol
Exact Mass382.11
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncnc2[nH]ncc12
InChIInChI=1S/C19H16ClFN6/c1-10(2)13-7-22-16(12-5-11(20)3-4-15(12)21)6-17(13)26-18-14-8-25-27-19(14)24-9-23-18/h3-10H,1-2H3,(H2,22,23,24,25,26,27)
InChIKeyNRALVILIKBNNQX-UHFFFAOYSA-N
XLogP5.07
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.83
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 118211266) is N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ncnc2[nH]ncc12.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is NRALVILIKBNNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN6/c1-10(2)13-7-22-16(12-5-11(20)3-4-15(12)21)6-17(13)26-18-14-8-25-27-19(14)24-9-23-18/h3-10H,1-2H3,(H2,22,23,24,25,26,27).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 382.83 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 118211266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).