(2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide

C19H23N5O — CID 119956668

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
SMILESCn1ncc2c1CCCC2NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H23N5O/c1-24-18-8-4-7-17(14(18)11-22-24)23-19(25)15(20)9-12-10-21-16-6-3-2-5-13(12)16/h2-3,5-6,10-11,15,17,21H,4,7-9,20H2,1H3,(H,23,25)/t15-,17?/m0/s1
InChIKeyMNXQAGMUGNCTOH-MYJWUSKBSA-N
MW337.43 g/mol
LogP1.97
Rot. Bonds4

About (2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide

(2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide (PubChem CID 119956668) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
PubChem CID119956668
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
SMILESCn1ncc2c1CCCC2NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H23N5O/c1-24-18-8-4-7-17(14(18)11-22-24)23-19(25)15(20)9-12-10-21-16-6-3-2-5-13(12)16/h2-3,5-6,10-11,15,17,21H,4,7-9,20H2,1H3,(H,23,25)/t15-,17?/m0/s1
InChIKeyMNXQAGMUGNCTOH-MYJWUSKBSA-N
XLogP1.97
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 43712088
2-amino-4-methoxy-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 62475195
(2S)-2-amino-N-(2,5-dioxopyrrolidin-3-yl)-3-(1H-indol-3-yl)propanamide
CID 167935031
(2S)-2-amino-N-(1-ethylpiperidin-4-yl)-3-(1H-indol-3-yl)propanamide;dihydrochloride
CID 119957877
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride
CID 119957769
(2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119956973
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119957507
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 119957335
(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide
CID 119956583
2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide
CID 114350844
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 47027925
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119957532

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide (CID 119956668) is (2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide is Cn1ncc2c1CCCC2NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
The InChIKey is MNXQAGMUGNCTOH-MYJWUSKBSA-N. The full InChI is InChI=1S/C19H23N5O/c1-24-18-8-4-7-17(14(18)11-22-24)23-19(25)15(20)9-12-10-21-16-6-3-2-5-13(12)16/h2-3,5-6,10-11,15,17,21H,4,7-9,20H2,1H3,(H,23,25)/t15-,17?/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
(2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide has a molecular weight of 337.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide is sourced from PubChem (CID 119956668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).