N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine — IUPAC name, SMILES, InChIKey & properties

Name: N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine

N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine (PubChem CID 160628454) has the molecular formula C69H95BF2N8O3 and a molecular weight of 1133.38 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine.

Molecular Properties

Compound Name	N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
PubChem CID	160628454
Molecular Formula	C69H95BF2N8O3
Molecular Weight	1133.38 g/mol
Exact Mass	1132.76
IUPAC Name	N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
SMILES	CC(C)c1cnc2c(c1)C(C)CC2.CC(C)c1cnc2c(c1)C(N)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCC(F)(F)CN)cc1)CC2.CC1Cc2cc(C(C)C)cnc2C1.CCC1OB(O)c2ccc(C(C)C)cc21
InChI	InChI=1S/C22H28F2N4O.C12H17BO2.2C12H17N.C11H16N2/c1-15(2)18-9-19-12-28(8-7-20(19)26-10-18)11-16-3-5-17(6-4-16)21(29)27-14-22(23,24)13-25;1-4-12-10-7-9(8(2)3)5-6-11(10)13(14)15-12;1-8(2)11-6-10-4-9(3)5-12(10)13-7-11;1-8(2)10-6-11-9(3)4-5-12(11)13-7-10;1-7(2)8-5-9-10(12)3-4-11(9)13-6-8/h3-6,9-10,15H,7-8,11-14,25H2,1-2H3,(H,27,29);5-8,12,14H,4H2,1-3H3;2*6-9H,4-5H2,1-3H3;5-7,10H,3-4,12H2,1-2H3
InChIKey	RHPNNJOMYUKESD-UHFFFAOYSA-N
XLogP	13.41
TPSA	165.40 Å²
H-Bond Donors	4
H-Bond Acceptors	10
Rotatable Bonds	12
Heavy Atoms	83
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1133.38
LogP ≤ 5	13.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?

The IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine (CID 160628454) is N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine.

What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?

The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine is CC(C)c1cnc2c(c1)C(C)CC2.CC(C)c1cnc2c(c1)C(N)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCC(F)(F)CN)cc1)CC2.CC1Cc2cc(C(C)C)cnc2C1.CCC1OB(O)c2ccc(C(C)C)cc21.

What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?

The InChIKey is RHPNNJOMYUKESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N4O.C12H17BO2.2C12H17N.C11H16N2/c1-15(2)18-9-19-12-28(8-7-20(19)26-10-18)11-16-3-5-17(6-4-16)21(29)27-14-22(23,24)13-25;1-4-12-10-7-9(8(2)3)5-6-11(10)13(14)15-12;1-8(2)11-6-10-4-9(3)5-12(10)13-7-11;1-8(2)10-6-11-9(3)4-5-12(11)13-7-10;1-7(2)8-5-9-10(12)3-4-11(9)13-6-8/h3-6,9-10,15H,7-8,11-14,25H2,1-2H3,(H,27,29);5-8,12,14H,4H2,1-3H3;2*6-9H,4-5H2,1-3H3;5-7,10H,3-4,12H2,1-2H3.

What are the key properties of N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?

Where does this data come from?

All data for N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine is sourced from PubChem (CID 160628454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).