1-[1-(cyclopropylmethyl)-3-[(5-methyl-3-pyridinyl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C18H23N5O — CID 121372687

IUPAC1-[1-(cyclopropylmethyl)-3-[(5-methyl-3-pyridinyl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cncc(C)c3)nn2CC2CC2)C1
InChIInChI=1S/C18H23N5O/c1-12-7-15(9-19-8-12)20-18-16-11-22(13(2)24)6-5-17(16)23(21-18)10-14-3-4-14/h7-9,14H,3-6,10-11H2,1-2H3,(H,20,21)
InChIKeyGTNIHVNDOOOZPX-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.64
Rot. Bonds4

About 1-[1-(cyclopropylmethyl)-3-[(5-methyl-3-pyridinyl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-(cyclopropylmethyl)-3-[(5-methyl-3-pyridinyl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121372687) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-3-[(5-methyl-3-pyridinyl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-3-[(5-methyl-3-pyridinyl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121372687
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[1-(cyclopropylmethyl)-3-[(5-methyl-3-pyridinyl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cncc(C)c3)nn2CC2CC2)C1
InChIInChI=1S/C18H23N5O/c1-12-7-15(9-19-8-12)20-18-16-11-22(13(2)24)6-5-17(16)23(21-18)10-14-3-4-14/h7-9,14H,3-6,10-11H2,1-2H3,(H,20,21)
InChIKeyGTNIHVNDOOOZPX-UHFFFAOYSA-N
XLogP2.64
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-3-[(5-methyl-3-pyridinyl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-(cyclopropylmethyl)-3-[(5-methyl-3-pyridinyl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121372687) is 1-[1-(cyclopropylmethyl)-3-[(5-methyl-3-pyridinyl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-3-[(5-methyl-3-pyridinyl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-3-[(5-methyl-3-pyridinyl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3cncc(C)c3)nn2CC2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-3-[(5-methyl-3-pyridinyl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is GTNIHVNDOOOZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12-7-15(9-19-8-12)20-18-16-11-22(13(2)24)6-5-17(16)23(21-18)10-14-3-4-14/h7-9,14H,3-6,10-11H2,1-2H3,(H,20,21).
What are the key properties of 1-[1-(cyclopropylmethyl)-3-[(5-methyl-3-pyridinyl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-(cyclopropylmethyl)-3-[(5-methyl-3-pyridinyl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 325.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-3-[(5-methyl-3-pyridinyl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121372687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).