(6S)-N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide

C19H30N4O — CID 164636087

IUPAC(6S)-N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESCC(C)(C)C1=CCN(CCNC(=O)[C@H]2CCc3cn[nH]c3C2)CC1
InChIInChI=1S/C19H30N4O/c1-19(2,3)16-6-9-23(10-7-16)11-8-20-18(24)14-4-5-15-13-21-22-17(15)12-14/h6,13-14H,4-5,7-12H2,1-3H3,(H,20,24)(H,21,22)/t14-/m0/s1
InChIKeyVXURKQLFGYZWHH-AWEZNQCLSA-N
MW330.48 g/mol
LogP2.31
Rot. Bonds4

About (6S)-N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide

(6S)-N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (PubChem CID 164636087) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is (6S)-N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
PubChem CID164636087
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name(6S)-N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESCC(C)(C)C1=CCN(CCNC(=O)[C@H]2CCc3cn[nH]c3C2)CC1
InChIInChI=1S/C19H30N4O/c1-19(2,3)16-6-9-23(10-7-16)11-8-20-18(24)14-4-5-15-13-21-22-17(15)12-14/h6,13-14H,4-5,7-12H2,1-3H3,(H,20,24)(H,21,22)/t14-/m0/s1
InChIKeyVXURKQLFGYZWHH-AWEZNQCLSA-N
XLogP2.31
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1R,2S,5S,8R,9S,10S,14R,15R,23R)-1,2,8,9,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-trien-5-yl]-piperazin-1-ylmethanone
CID 137653617
(1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-N-(2-piperidin-1-ylethyl)-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxamide
CID 127033046
N-ethyl-2-[4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 71920562
pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71920572
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71920573
azepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71920574
(4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71971097
N,N-diethyl-4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazine-1-carboxamide
CID 75426007
[(1R,2S,5S,8R,9S,10S,14R,15R,23R)-1,2,8,9,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-trien-5-yl]-piperazin-1-ylmethanone;hydrochloride
CID 137653616
N-(3-bicyclo[3.1.0]hexanyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 128897734
7-azaspiro[3.5]nonan-7-yl-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]methanone
CID 164642059
N-cyclopropyl-4-(3-fluoro-2,3-dihydropyridin-2-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)cyclohex-3-ene-1-carboxamide
CID 89519741

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The IUPAC name of (6S)-N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (CID 164636087) is (6S)-N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.
What is the SMILES notation for (6S)-N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The canonical SMILES for (6S)-N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is CC(C)(C)C1=CCN(CCNC(=O)[C@H]2CCc3cn[nH]c3C2)CC1.
What is the InChIKey of (6S)-N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The InChIKey is VXURKQLFGYZWHH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H30N4O/c1-19(2,3)16-6-9-23(10-7-16)11-8-20-18(24)14-4-5-15-13-21-22-17(15)12-14/h6,13-14H,4-5,7-12H2,1-3H3,(H,20,24)(H,21,22)/t14-/m0/s1.
What are the key properties of (6S)-N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
(6S)-N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is sourced from PubChem (CID 164636087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).