[2-[4-[(3S)-piperidin-3-yl]phenyl]indazol-7-yl]methanamine

C19H22N4 — CID 154931621

IUPAC[2-[4-[(3S)-piperidin-3-yl]phenyl]indazol-7-yl]methanamine
SMILESNCc1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12
InChIInChI=1S/C19H22N4/c20-11-15-3-1-4-17-13-23(22-19(15)17)18-8-6-14(7-9-18)16-5-2-10-21-12-16/h1,3-4,6-9,13,16,21H,2,5,10-12,20H2/t16-/m1/s1
InChIKeyWAIVMDOLXJHDME-MRXNPFEDSA-N
MW306.41 g/mol
LogP2.95
Rot. Bonds3

About [2-[4-[(3S)-piperidin-3-yl]phenyl]indazol-7-yl]methanamine

[2-[4-[(3S)-piperidin-3-yl]phenyl]indazol-7-yl]methanamine (PubChem CID 154931621) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is [2-[4-[(3S)-piperidin-3-yl]phenyl]indazol-7-yl]methanamine.

Molecular Properties

Compound Name[2-[4-[(3S)-piperidin-3-yl]phenyl]indazol-7-yl]methanamine
PubChem CID154931621
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name[2-[4-[(3S)-piperidin-3-yl]phenyl]indazol-7-yl]methanamine
SMILESNCc1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12
InChIInChI=1S/C19H22N4/c20-11-15-3-1-4-17-13-23(22-19(15)17)18-8-6-14(7-9-18)16-5-2-10-21-12-16/h1,3-4,6-9,13,16,21H,2,5,10-12,20H2/t16-/m1/s1
InChIKeyWAIVMDOLXJHDME-MRXNPFEDSA-N
XLogP2.95
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[(3S)-piperidin-3-yl]phenyl]indazol-7-yl]methanamine?
The IUPAC name of [2-[4-[(3S)-piperidin-3-yl]phenyl]indazol-7-yl]methanamine (CID 154931621) is [2-[4-[(3S)-piperidin-3-yl]phenyl]indazol-7-yl]methanamine.
What is the SMILES notation for [2-[4-[(3S)-piperidin-3-yl]phenyl]indazol-7-yl]methanamine?
The canonical SMILES for [2-[4-[(3S)-piperidin-3-yl]phenyl]indazol-7-yl]methanamine is NCc1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.
What is the InChIKey of [2-[4-[(3S)-piperidin-3-yl]phenyl]indazol-7-yl]methanamine?
The InChIKey is WAIVMDOLXJHDME-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4/c20-11-15-3-1-4-17-13-23(22-19(15)17)18-8-6-14(7-9-18)16-5-2-10-21-12-16/h1,3-4,6-9,13,16,21H,2,5,10-12,20H2/t16-/m1/s1.
What are the key properties of [2-[4-[(3S)-piperidin-3-yl]phenyl]indazol-7-yl]methanamine?
[2-[4-[(3S)-piperidin-3-yl]phenyl]indazol-7-yl]methanamine has a molecular weight of 306.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(3S)-piperidin-3-yl]phenyl]indazol-7-yl]methanamine is sourced from PubChem (CID 154931621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).