(5S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine

C16H19N3O — CID 129356763

IUPAC(5S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine
SMILESc1cc2n(n1)CC[C@H](NCc1ccc3c(c1)CCO3)C2
InChIInChI=1S/C16H19N3O/c1-2-16-13(5-8-20-16)9-12(1)11-17-14-4-7-19-15(10-14)3-6-18-19/h1-3,6,9,14,17H,4-5,7-8,10-11H2/t14-/m0/s1
InChIKeyHRHKSAZFJTTWAL-AWEZNQCLSA-N
MW269.35 g/mol
LogP1.92
Rot. Bonds3

About (5S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine

(5S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine (PubChem CID 129356763) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (5S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name(5S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine
PubChem CID129356763
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(5S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine
SMILESc1cc2n(n1)CC[C@H](NCc1ccc3c(c1)CCO3)C2
InChIInChI=1S/C16H19N3O/c1-2-16-13(5-8-20-16)9-12(1)11-17-14-4-7-19-15(10-14)3-6-18-19/h1-3,6,9,14,17H,4-5,7-8,10-11H2/t14-/m0/s1
InChIKeyHRHKSAZFJTTWAL-AWEZNQCLSA-N
XLogP1.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112731894
4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclohexane-1-carbonitrile
CID 115150163
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine
CID 65431601
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43804095
(6R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 95138472
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 75428219
(3S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 97055514
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine
CID 64922539
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide
CID 110787105
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine
CID 43804263
2-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)acetic acid
CID 65059771

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine?
The IUPAC name of (5S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine (CID 129356763) is (5S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for (5S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for (5S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine is c1cc2n(n1)CC[C@H](NCc1ccc3c(c1)CCO3)C2.
What is the InChIKey of (5S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine?
The InChIKey is HRHKSAZFJTTWAL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-16-13(5-8-20-16)9-12(1)11-17-14-4-7-19-15(10-14)3-6-18-19/h1-3,6,9,14,17H,4-5,7-8,10-11H2/t14-/m0/s1.
What are the key properties of (5S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine?
(5S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine has a molecular weight of 269.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 129356763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).