N-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

C20H24N4O — CID 44599069

IUPACN-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCOc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C20H24N4O/c1-25-19-7-4-15(5-8-19)13-24-10-2-3-18(14-24)22-17-6-9-20-16(11-17)12-21-23-20/h4-9,11-12,18,22H,2-3,10,13-14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyUCJIXVPTONWDEH-SFHVURJKSA-N
MW336.44 g/mol
LogP3.65
Rot. Bonds5

About N-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

N-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 44599069) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
PubChem CID44599069
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCOc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C20H24N4O/c1-25-19-7-4-15(5-8-19)13-24-10-2-3-18(14-24)22-17-6-9-20-16(11-17)12-21-23-20/h4-9,11-12,18,22H,2-3,10,13-14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyUCJIXVPTONWDEH-SFHVURJKSA-N
XLogP3.65
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (CID 44599069) is N-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is COc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1.
What is the InChIKey of N-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is UCJIXVPTONWDEH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N4O/c1-25-19-7-4-15(5-8-19)13-24-10-2-3-18(14-24)22-17-6-9-20-16(11-17)12-21-23-20/h4-9,11-12,18,22H,2-3,10,13-14H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
N-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 336.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 44599069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).