(4R)-1-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-4,5,6,7-tetrahydroindazol-4-amine

C20H25N3O — CID 97230026

IUPAC(4R)-1-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCC[C@H]2N[C@H]1CC2(CCC2)Oc2ccccc21
InChIInChI=1S/C20H25N3O/c1-23-18-8-4-7-16(15(18)13-21-23)22-17-12-20(10-5-11-20)24-19-9-3-2-6-14(17)19/h2-3,6,9,13,16-17,22H,4-5,7-8,10-12H2,1H3/t16-,17+/m1/s1
InChIKeyVMFPUGHNUSFAJQ-SJORKVTESA-N
MW323.44 g/mol
LogP3.83
Rot. Bonds2

About (4R)-1-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-4,5,6,7-tetrahydroindazol-4-amine

(4R)-1-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 97230026) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (4R)-1-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4R)-1-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID97230026
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(4R)-1-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCC[C@H]2N[C@H]1CC2(CCC2)Oc2ccccc21
InChIInChI=1S/C20H25N3O/c1-23-18-8-4-7-16(15(18)13-21-23)22-17-12-20(10-5-11-20)24-19-9-3-2-6-14(17)19/h2-3,6,9,13,16-17,22H,4-5,7-8,10-12H2,1H3/t16-,17+/m1/s1
InChIKeyVMFPUGHNUSFAJQ-SJORKVTESA-N
XLogP3.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727362
1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine
CID 97230108
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
1-methyl-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 43317523
N-(1,5-dimethylpyrrolidin-3-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 81297409
N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114712158
N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254584
3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol
CID 43751424
1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43730478
N-(2-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254701
N-(4,4-dimethylthian-3-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 79947930
N-(3-methoxycyclopentyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 103082859

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4R)-1-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-4,5,6,7-tetrahydroindazol-4-amine (CID 97230026) is (4R)-1-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4R)-1-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4R)-1-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCC[C@H]2N[C@H]1CC2(CCC2)Oc2ccccc21.
What is the InChIKey of (4R)-1-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is VMFPUGHNUSFAJQ-SJORKVTESA-N. The full InChI is InChI=1S/C20H25N3O/c1-23-18-8-4-7-16(15(18)13-21-23)22-17-12-20(10-5-11-20)24-19-9-3-2-6-14(17)19/h2-3,6,9,13,16-17,22H,4-5,7-8,10-12H2,1H3/t16-,17+/m1/s1.
What are the key properties of (4R)-1-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-4,5,6,7-tetrahydroindazol-4-amine?
(4R)-1-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 323.44 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 97230026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).