N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide

C24H21FN6O2 — CID 70259320

IUPACN-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide
SMILESCCCn1nc(NC(=O)c2ccccc2)c2cc(F)c(-c3cnn4ccc(OC)cc34)nc21
InChIInChI=1S/C24H21FN6O2/c1-3-10-31-23-17(22(29-31)28-24(32)15-7-5-4-6-8-15)13-19(25)21(27-23)18-14-26-30-11-9-16(33-2)12-20(18)30/h4-9,11-14H,3,10H2,1-2H3,(H,28,29,32)
InChIKeyBHQOPYRCABTCQD-UHFFFAOYSA-N
MW444.47 g/mol
LogP4.56
Rot. Bonds6

About N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide

N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide (PubChem CID 70259320) has the molecular formula C24H21FN6O2 and a molecular weight of 444.47 g/mol. Its IUPAC name is N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide
PubChem CID70259320
Molecular FormulaC24H21FN6O2
Molecular Weight444.47 g/mol
Exact Mass444.17
IUPAC NameN-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide
SMILESCCCn1nc(NC(=O)c2ccccc2)c2cc(F)c(-c3cnn4ccc(OC)cc34)nc21
InChIInChI=1S/C24H21FN6O2/c1-3-10-31-23-17(22(29-31)28-24(32)15-7-5-4-6-8-15)13-19(25)21(27-23)18-14-26-30-11-9-16(33-2)12-20(18)30/h4-9,11-14H,3,10H2,1-2H3,(H,28,29,32)
InChIKeyBHQOPYRCABTCQD-UHFFFAOYSA-N
XLogP4.56
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide
CID 1402553
N-(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzamide
CID 946372
N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
CID 3829391
N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(3-fluorophenyl)acetamide
CID 68559121
N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 46183700
4-fluoro-N-[5-fluoro-1-(4-fluorobenzoyl)-6-(7-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[3,4-b]pyridin-3-yl]benzamide
CID 46183696
4-fluoro-N-[5-fluoro-6-(5-methoxy-7-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide
CID 46183699
5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide
CID 143779921
N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide
CID 17101068
N-[amino-[2-amino-5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-pyridinyl]methylidene]cyclopropanecarboxamide
CID 143953052
N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
CID 943803
4-tert-butyl-N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)benzamide
CID 3422588

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide?
The IUPAC name of N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide (CID 70259320) is N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide.
What is the SMILES notation for N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide?
The canonical SMILES for N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide is CCCn1nc(NC(=O)c2ccccc2)c2cc(F)c(-c3cnn4ccc(OC)cc34)nc21.
What is the InChIKey of N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide?
The InChIKey is BHQOPYRCABTCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2/c1-3-10-31-23-17(22(29-31)28-24(32)15-7-5-4-6-8-15)13-19(25)21(27-23)18-14-26-30-11-9-16(33-2)12-20(18)30/h4-9,11-14H,3,10H2,1-2H3,(H,28,29,32).
What are the key properties of N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide?
N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide has a molecular weight of 444.47 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide is sourced from PubChem (CID 70259320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).