1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C22H27N5O — CID 26224089

IUPAC1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCNC(=O)c1nn(CC2CC2)c2c1CN(Cc1cc3ccccc3[nH]1)CC2
InChIInChI=1S/C22H27N5O/c1-2-23-22(28)21-18-14-26(10-9-20(18)27(25-21)12-15-7-8-15)13-17-11-16-5-3-4-6-19(16)24-17/h3-6,11,15,24H,2,7-10,12-14H2,1H3,(H,23,28)
InChIKeyYYVBIGFGSJLUEK-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.08
Rot. Bonds6

About 1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26224089) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26224089
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCNC(=O)c1nn(CC2CC2)c2c1CN(Cc1cc3ccccc3[nH]1)CC2
InChIInChI=1S/C22H27N5O/c1-2-23-22(28)21-18-14-26(10-9-20(18)27(25-21)12-15-7-8-15)13-17-11-16-5-3-4-6-19(16)24-17/h3-6,11,15,24H,2,7-10,12-14H2,1H3,(H,23,28)
InChIKeyYYVBIGFGSJLUEK-UHFFFAOYSA-N
XLogP3.08
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26224089) is 1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCNC(=O)c1nn(CC2CC2)c2c1CN(Cc1cc3ccccc3[nH]1)CC2.
What is the InChIKey of 1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is YYVBIGFGSJLUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-2-23-22(28)21-18-14-26(10-9-20(18)27(25-21)12-15-7-8-15)13-17-11-16-5-3-4-6-19(16)24-17/h3-6,11,15,24H,2,7-10,12-14H2,1H3,(H,23,28).
What are the key properties of 1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26224089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).