5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine

C21H19FN6 — CID 137444694

IUPAC5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1CC1CC1
InChIInChI=1S/C21H19FN6/c22-17-6-2-1-4-14(17)12-28-21-16(5-3-9-24-21)18(27-28)20-25-11-15(19(23)26-20)10-13-7-8-13/h1-6,9,11,13H,7-8,10,12H2,(H2,23,25,26)
InChIKeyOHIBDPIEYAQGTM-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.61
Rot. Bonds5

About 5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine

5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 137444694) has the molecular formula C21H19FN6 and a molecular weight of 374.42 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
PubChem CID137444694
Molecular FormulaC21H19FN6
Molecular Weight374.42 g/mol
Exact Mass374.17
IUPAC Name5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1CC1CC1
InChIInChI=1S/C21H19FN6/c22-17-6-2-1-4-14(17)12-28-21-16(5-3-9-24-21)18(27-28)20-25-11-15(19(23)26-20)10-13-7-8-13/h1-6,9,11,13H,7-8,10,12H2,(H2,23,25,26)
InChIKeyOHIBDPIEYAQGTM-UHFFFAOYSA-N
XLogP3.61
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine?
The IUPAC name of 5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine (CID 137444694) is 5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine is Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1CC1CC1.
What is the InChIKey of 5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine?
The InChIKey is OHIBDPIEYAQGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6/c22-17-6-2-1-4-14(17)12-28-21-16(5-3-9-24-21)18(27-28)20-25-11-15(19(23)26-20)10-13-7-8-13/h1-6,9,11,13H,7-8,10,12H2,(H2,23,25,26).
What are the key properties of 5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine?
5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine has a molecular weight of 374.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 137444694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).