(3-amino-6-phenylpyrazolo[4,3-c]pyridin-1-yl)-cyclopropylmethanone

C16H14N4O — CID 70036347

IUPAC(3-amino-6-phenylpyrazolo[4,3-c]pyridin-1-yl)-cyclopropylmethanone
SMILESNc1nn(C(=O)C2CC2)c2cc(-c3ccccc3)ncc12
InChIInChI=1S/C16H14N4O/c17-15-12-9-18-13(10-4-2-1-3-5-10)8-14(12)20(19-15)16(21)11-6-7-11/h1-5,8-9,11H,6-7H2,(H2,17,19)
InChIKeyOGTSMELVVNHPLB-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.73
Rot. Bonds2

About (3-amino-6-phenylpyrazolo[4,3-c]pyridin-1-yl)-cyclopropylmethanone

(3-amino-6-phenylpyrazolo[4,3-c]pyridin-1-yl)-cyclopropylmethanone (PubChem CID 70036347) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is (3-amino-6-phenylpyrazolo[4,3-c]pyridin-1-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(3-amino-6-phenylpyrazolo[4,3-c]pyridin-1-yl)-cyclopropylmethanone
PubChem CID70036347
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name(3-amino-6-phenylpyrazolo[4,3-c]pyridin-1-yl)-cyclopropylmethanone
SMILESNc1nn(C(=O)C2CC2)c2cc(-c3ccccc3)ncc12
InChIInChI=1S/C16H14N4O/c17-15-12-9-18-13(10-4-2-1-3-5-10)8-14(12)20(19-15)16(21)11-6-7-11/h1-5,8-9,11H,6-7H2,(H2,17,19)
InChIKeyOGTSMELVVNHPLB-UHFFFAOYSA-N
XLogP2.73
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-phenylpyrazolo[4,3-c]pyridin-1-yl)-cyclopropylmethanone?
The IUPAC name of (3-amino-6-phenylpyrazolo[4,3-c]pyridin-1-yl)-cyclopropylmethanone (CID 70036347) is (3-amino-6-phenylpyrazolo[4,3-c]pyridin-1-yl)-cyclopropylmethanone.
What is the SMILES notation for (3-amino-6-phenylpyrazolo[4,3-c]pyridin-1-yl)-cyclopropylmethanone?
The canonical SMILES for (3-amino-6-phenylpyrazolo[4,3-c]pyridin-1-yl)-cyclopropylmethanone is Nc1nn(C(=O)C2CC2)c2cc(-c3ccccc3)ncc12.
What is the InChIKey of (3-amino-6-phenylpyrazolo[4,3-c]pyridin-1-yl)-cyclopropylmethanone?
The InChIKey is OGTSMELVVNHPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-15-12-9-18-13(10-4-2-1-3-5-10)8-14(12)20(19-15)16(21)11-6-7-11/h1-5,8-9,11H,6-7H2,(H2,17,19).
What are the key properties of (3-amino-6-phenylpyrazolo[4,3-c]pyridin-1-yl)-cyclopropylmethanone?
(3-amino-6-phenylpyrazolo[4,3-c]pyridin-1-yl)-cyclopropylmethanone has a molecular weight of 278.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-phenylpyrazolo[4,3-c]pyridin-1-yl)-cyclopropylmethanone is sourced from PubChem (CID 70036347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).