(4-amino-2-cyclopropylpyrimidin-5-yl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone

C14H16N6O — CID 136548872

IUPAC(4-amino-2-cyclopropylpyrimidin-5-yl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
SMILESNc1nc(C2CC2)ncc1C(=O)N1CCCc2[nH]ncc21
InChIInChI=1S/C14H16N6O/c15-12-9(6-16-13(18-12)8-3-4-8)14(21)20-5-1-2-10-11(20)7-17-19-10/h6-8H,1-5H2,(H,17,19)(H2,15,16,18)
InChIKeyGVVUKKWVKAYLLN-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.25
Rot. Bonds2

About (4-amino-2-cyclopropylpyrimidin-5-yl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone

(4-amino-2-cyclopropylpyrimidin-5-yl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone (PubChem CID 136548872) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is (4-amino-2-cyclopropylpyrimidin-5-yl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-cyclopropylpyrimidin-5-yl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
PubChem CID136548872
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name(4-amino-2-cyclopropylpyrimidin-5-yl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
SMILESNc1nc(C2CC2)ncc1C(=O)N1CCCc2[nH]ncc21
InChIInChI=1S/C14H16N6O/c15-12-9(6-16-13(18-12)8-3-4-8)14(21)20-5-1-2-10-11(20)7-17-19-10/h6-8H,1-5H2,(H,17,19)(H2,15,16,18)
InChIKeyGVVUKKWVKAYLLN-UHFFFAOYSA-N
XLogP1.25
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-cyclopropylpyrimidin-5-yl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone?
The IUPAC name of (4-amino-2-cyclopropylpyrimidin-5-yl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone (CID 136548872) is (4-amino-2-cyclopropylpyrimidin-5-yl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone.
What is the SMILES notation for (4-amino-2-cyclopropylpyrimidin-5-yl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone?
The canonical SMILES for (4-amino-2-cyclopropylpyrimidin-5-yl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone is Nc1nc(C2CC2)ncc1C(=O)N1CCCc2[nH]ncc21.
What is the InChIKey of (4-amino-2-cyclopropylpyrimidin-5-yl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone?
The InChIKey is GVVUKKWVKAYLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c15-12-9(6-16-13(18-12)8-3-4-8)14(21)20-5-1-2-10-11(20)7-17-19-10/h6-8H,1-5H2,(H,17,19)(H2,15,16,18).
What are the key properties of (4-amino-2-cyclopropylpyrimidin-5-yl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone?
(4-amino-2-cyclopropylpyrimidin-5-yl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone has a molecular weight of 284.32 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-cyclopropylpyrimidin-5-yl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone is sourced from PubChem (CID 136548872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).