4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine

C20H23N5 — CID 135356278

IUPAC4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine
SMILESCn1cc(Nc2cc(-c3ccc4c(c3)CCCC[C@H]4N)ccn2)cn1
InChIInChI=1S/C20H23N5/c1-25-13-17(12-23-25)24-20-11-15(8-9-22-20)14-6-7-18-16(10-14)4-2-3-5-19(18)21/h6-13,19H,2-5,21H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyGHHGSLZEOJEOMF-LJQANCHMSA-N
MW333.44 g/mol
LogP3.95
Rot. Bonds3

About 4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine

4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine (PubChem CID 135356278) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine
PubChem CID135356278
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine
SMILESCn1cc(Nc2cc(-c3ccc4c(c3)CCCC[C@H]4N)ccn2)cn1
InChIInChI=1S/C20H23N5/c1-25-13-17(12-23-25)24-20-11-15(8-9-22-20)14-6-7-18-16(10-14)4-2-3-5-19(18)21/h6-13,19H,2-5,21H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyGHHGSLZEOJEOMF-LJQANCHMSA-N
XLogP3.95
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine (CID 135356278) is 4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine is Cn1cc(Nc2cc(-c3ccc4c(c3)CCCC[C@H]4N)ccn2)cn1.
What is the InChIKey of 4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is GHHGSLZEOJEOMF-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23N5/c1-25-13-17(12-23-25)24-20-11-15(8-9-22-20)14-6-7-18-16(10-14)4-2-3-5-19(18)21/h6-13,19H,2-5,21H2,1H3,(H,22,24)/t19-/m1/s1.
What are the key properties of 4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine?
4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 333.44 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 135356278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).