(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone

C24H23FN6O — CID 146038836

IUPAC(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone
SMILESCC1CN(C(=O)c2nn(Cc3ccccc3)c3ncccc23)CCN1c1ccc(F)cn1
InChIInChI=1S/C24H23FN6O/c1-17-15-29(12-13-30(17)21-10-9-19(25)14-27-21)24(32)22-20-8-5-11-26-23(20)31(28-22)16-18-6-3-2-4-7-18/h2-11,14,17H,12-13,15-16H2,1H3
InChIKeySMSCSEUGWYNSGZ-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.36
Rot. Bonds4

About (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone

(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone (PubChem CID 146038836) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone
PubChem CID146038836
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone
SMILESCC1CN(C(=O)c2nn(Cc3ccccc3)c3ncccc23)CCN1c1ccc(F)cn1
InChIInChI=1S/C24H23FN6O/c1-17-15-29(12-13-30(17)21-10-9-19(25)14-27-21)24(32)22-20-8-5-11-26-23(20)31(28-22)16-18-6-3-2-4-7-18/h2-11,14,17H,12-13,15-16H2,1H3
InChIKeySMSCSEUGWYNSGZ-UHFFFAOYSA-N
XLogP3.36
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone (CID 146038836) is (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone is CC1CN(C(=O)c2nn(Cc3ccccc3)c3ncccc23)CCN1c1ccc(F)cn1.
What is the InChIKey of (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone?
The InChIKey is SMSCSEUGWYNSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-17-15-29(12-13-30(17)21-10-9-19(25)14-27-21)24(32)22-20-8-5-11-26-23(20)31(28-22)16-18-6-3-2-4-7-18/h2-11,14,17H,12-13,15-16H2,1H3.
What are the key properties of (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone?
(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone has a molecular weight of 430.49 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 146038836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).