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

C19H22N4O — CID 58022540

IUPACN-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
SMILESCOc1ccc(CN2CC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C19H22N4O/c1-24-18-5-2-14(3-6-18)12-23-9-8-17(13-23)21-16-4-7-19-15(10-16)11-20-22-19/h2-7,10-11,17,21H,8-9,12-13H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyLUPSGJDAHWZALF-QGZVFWFLSA-N
MW322.41 g/mol
LogP3.26
Rot. Bonds5

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

N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine (PubChem CID 58022540) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
PubChem CID58022540
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
SMILESCOc1ccc(CN2CC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C19H22N4O/c1-24-18-5-2-14(3-6-18)12-23-9-8-17(13-23)21-16-4-7-19-15(10-16)11-20-22-19/h2-7,10-11,17,21H,8-9,12-13H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyLUPSGJDAHWZALF-QGZVFWFLSA-N
XLogP3.26
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022546
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-1H-indazol-5-amine
CID 21098476
N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 57446054
2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25009893
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44594373
N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022462
N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide
CID 57479972
N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538
N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 62976152
N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-5-amine
CID 14467953
N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
CID 44594371

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine (CID 58022540) is N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine is COc1ccc(CN2CC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1.
What is the InChIKey of N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
The InChIKey is LUPSGJDAHWZALF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N4O/c1-24-18-5-2-14(3-6-18)12-23-9-8-17(13-23)21-16-4-7-19-15(10-16)11-20-22-19/h2-7,10-11,17,21H,8-9,12-13H2,1H3,(H,20,22)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine has a molecular weight of 322.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 58022540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).