(2S)-1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine

C13H17N3O — CID 12985378

IUPAC(2S)-1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine
SMILESC[C@H](N)Cn1ncc2ccc3c(c21)CCCO3
InChIInChI=1S/C13H17N3O/c1-9(14)8-16-13-10(7-15-16)4-5-12-11(13)3-2-6-17-12/h4-5,7,9H,2-3,6,8,14H2,1H3/t9-/m0/s1
InChIKeyFJRIVFVALIEIOY-VIFPVBQESA-N
MW231.30 g/mol
LogP1.71
Rot. Bonds2

About (2S)-1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine

(2S)-1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine (PubChem CID 12985378) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (2S)-1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine
PubChem CID12985378
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(2S)-1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine
SMILESC[C@H](N)Cn1ncc2ccc3c(c21)CCCO3
InChIInChI=1S/C13H17N3O/c1-9(14)8-16-13-10(7-15-16)4-5-12-11(13)3-2-6-17-12/h4-5,7,9H,2-3,6,8,14H2,1H3/t9-/m0/s1
InChIKeyFJRIVFVALIEIOY-VIFPVBQESA-N
XLogP1.71
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-((S)-2-aminopropyl)-7-methyl-1H-indazol-6-ol
CID 135414348
(S)-2-(6-methoxyindazol-1-yl)-1-methylethylamine
CID 11708275
Allyl-[6-(1,3-dimethyl-1H-indazol-6-yloxy)-hexyl]-methyl-amine
CID 44306372
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole;dihydrochloride
CID 90664845
2-{8-Methyl-1H,4H-chromeno[4,3-C]pyrazol-1-YL}-N-phenyl-N-(prop-2-EN-1-YL)acetamide
CID 9550937
N,N-dimethyl-2-(5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanamine
CID 10362065
N,N-diethyl-2-(5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanamine
CID 44322153
N-[2-(dimethylamino)ethyl]-N-ethyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 5307600
2-(8,9-dihydro-7H-pyrano(2,3-g)indazol-1-yl)-1-methylethylamine
CID 22496603
N-butyl-N-ethyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 9550426
N,N-dimethyl-2-(8-oxa-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine
CID 11701866
7-Methoxy-4-(4-methoxy-phenyl)-1,2-dihydro-3,9,9a-triaza-fluorene
CID 25102387

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine (CID 12985378) is (2S)-1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine is C[C@H](N)Cn1ncc2ccc3c(c21)CCCO3.
What is the InChIKey of (2S)-1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine?
The InChIKey is FJRIVFVALIEIOY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(14)8-16-13-10(7-15-16)4-5-12-11(13)3-2-6-17-12/h4-5,7,9H,2-3,6,8,14H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine?
(2S)-1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine is sourced from PubChem (CID 12985378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).