3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide

C20H25N5O2 — CID 121373033

IUPAC3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Nc2nn(CC3CC3)c3c2CN(C(C)=O)CC3)c1
InChIInChI=1S/C20H25N5O2/c1-13(26)24-9-8-18-17(12-24)19(23-25(18)11-14-6-7-14)22-16-5-3-4-15(10-16)20(27)21-2/h3-5,10,14H,6-9,11-12H2,1-2H3,(H,21,27)(H,22,23)
InChIKeyQEBQWMOQSWEYPS-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.30
Rot. Bonds5

About 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide

3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide (PubChem CID 121373033) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide
PubChem CID121373033
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Nc2nn(CC3CC3)c3c2CN(C(C)=O)CC3)c1
InChIInChI=1S/C20H25N5O2/c1-13(26)24-9-8-18-17(12-24)19(23-25(18)11-14-6-7-14)22-16-5-3-4-15(10-16)20(27)21-2/h3-5,10,14H,6-9,11-12H2,1-2H3,(H,21,27)(H,22,23)
InChIKeyQEBQWMOQSWEYPS-UHFFFAOYSA-N
XLogP2.30
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide (CID 121373033) is 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide is CNC(=O)c1cccc(Nc2nn(CC3CC3)c3c2CN(C(C)=O)CC3)c1.
What is the InChIKey of 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide?
The InChIKey is QEBQWMOQSWEYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13(26)24-9-8-18-17(12-24)19(23-25(18)11-14-6-7-14)22-16-5-3-4-15(10-16)20(27)21-2/h3-5,10,14H,6-9,11-12H2,1-2H3,(H,21,27)(H,22,23).
What are the key properties of 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide?
3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide has a molecular weight of 367.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 121373033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).