(7S)-2-cyclopentyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazol-7-amine

C18H24N4 — CID 97346792

IUPAC(7S)-2-cyclopentyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazol-7-amine
SMILESc1cncc(CN[C@H]2CCCc3cn(C4CCCC4)nc32)c1
InChIInChI=1S/C18H24N4/c1-2-8-16(7-1)22-13-15-6-3-9-17(18(15)21-22)20-12-14-5-4-10-19-11-14/h4-5,10-11,13,16-17,20H,1-3,6-9,12H2/t17-/m0/s1
InChIKeyHZVKUQCZDOIZJB-KRWDZBQOSA-N
MW296.42 g/mol
LogP3.56
Rot. Bonds4

About (7S)-2-cyclopentyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazol-7-amine

(7S)-2-cyclopentyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazol-7-amine (PubChem CID 97346792) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is (7S)-2-cyclopentyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazol-7-amine.

Molecular Properties

Compound Name(7S)-2-cyclopentyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazol-7-amine
PubChem CID97346792
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name(7S)-2-cyclopentyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazol-7-amine
SMILESc1cncc(CN[C@H]2CCCc3cn(C4CCCC4)nc32)c1
InChIInChI=1S/C18H24N4/c1-2-8-16(7-1)22-13-15-6-3-9-17(18(15)21-22)20-12-14-5-4-10-19-11-14/h4-5,10-11,13,16-17,20H,1-3,6-9,12H2/t17-/m0/s1
InChIKeyHZVKUQCZDOIZJB-KRWDZBQOSA-N
XLogP3.56
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-2-cyclopentyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazol-7-amine
CID 97346791
4-[[[(7R)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]amino]methyl]-N-methylbenzamide
CID 97346793
5-[[(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]-2-methoxyphenol
CID 75475581
2-cyclopentyl-N-(6-pyrazol-1-ylpyrazin-2-yl)-4,5,6,7-tetrahydroindazol-7-amine
CID 127989098
(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11736560
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752244
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333441
N-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-1H-pyrazole-5-carboxamide
CID 75484174
N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-3,3,3-trifluoropropanamide
CID 97347048
N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide
CID 97347028

Frequently Asked Questions

What is the IUPAC name of (7S)-2-cyclopentyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazol-7-amine?
The IUPAC name of (7S)-2-cyclopentyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazol-7-amine (CID 97346792) is (7S)-2-cyclopentyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazol-7-amine.
What is the SMILES notation for (7S)-2-cyclopentyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazol-7-amine?
The canonical SMILES for (7S)-2-cyclopentyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazol-7-amine is c1cncc(CN[C@H]2CCCc3cn(C4CCCC4)nc32)c1.
What is the InChIKey of (7S)-2-cyclopentyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazol-7-amine?
The InChIKey is HZVKUQCZDOIZJB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-8-16(7-1)22-13-15-6-3-9-17(18(15)21-22)20-12-14-5-4-10-19-11-14/h4-5,10-11,13,16-17,20H,1-3,6-9,12H2/t17-/m0/s1.
What are the key properties of (7S)-2-cyclopentyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazol-7-amine?
(7S)-2-cyclopentyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazol-7-amine has a molecular weight of 296.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-cyclopentyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazol-7-amine is sourced from PubChem (CID 97346792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).