2-amino-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-3-(2H-indazol-3-yl)propanamide

C19H21N5O — CID 155959017

IUPAC2-amino-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-3-(2H-indazol-3-yl)propanamide
SMILESNC(Cc1[nH]nc2ccccc12)C(=O)NCc1cncc2c1CCC2
InChIInChI=1S/C19H21N5O/c20-16(8-18-15-5-1-2-7-17(15)23-24-18)19(25)22-11-13-10-21-9-12-4-3-6-14(12)13/h1-2,5,7,9-10,16H,3-4,6,8,11,20H2,(H,22,25)(H,23,24)
InChIKeyLNTYHZYZRGYGNK-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.63
Rot. Bonds5

About 2-amino-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-3-(2H-indazol-3-yl)propanamide

2-amino-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-3-(2H-indazol-3-yl)propanamide (PubChem CID 155959017) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-amino-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-3-(2H-indazol-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-3-(2H-indazol-3-yl)propanamide
PubChem CID155959017
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-amino-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-3-(2H-indazol-3-yl)propanamide
SMILESNC(Cc1[nH]nc2ccccc12)C(=O)NCc1cncc2c1CCC2
InChIInChI=1S/C19H21N5O/c20-16(8-18-15-5-1-2-7-17(15)23-24-18)19(25)22-11-13-10-21-9-12-4-3-6-14(12)13/h1-2,5,7,9-10,16H,3-4,6,8,11,20H2,(H,22,25)(H,23,24)
InChIKeyLNTYHZYZRGYGNK-UHFFFAOYSA-N
XLogP1.63
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-3-(2H-indazol-3-yl)propanamide?
The IUPAC name of 2-amino-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-3-(2H-indazol-3-yl)propanamide (CID 155959017) is 2-amino-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-3-(2H-indazol-3-yl)propanamide.
What is the SMILES notation for 2-amino-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-3-(2H-indazol-3-yl)propanamide?
The canonical SMILES for 2-amino-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-3-(2H-indazol-3-yl)propanamide is NC(Cc1[nH]nc2ccccc12)C(=O)NCc1cncc2c1CCC2.
What is the InChIKey of 2-amino-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-3-(2H-indazol-3-yl)propanamide?
The InChIKey is LNTYHZYZRGYGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c20-16(8-18-15-5-1-2-7-17(15)23-24-18)19(25)22-11-13-10-21-9-12-4-3-6-14(12)13/h1-2,5,7,9-10,16H,3-4,6,8,11,20H2,(H,22,25)(H,23,24).
What are the key properties of 2-amino-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-3-(2H-indazol-3-yl)propanamide?
2-amino-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-3-(2H-indazol-3-yl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-3-(2H-indazol-3-yl)propanamide is sourced from PubChem (CID 155959017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).