(6R)-N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-[2-(difluoromethyl)-4-fluorophenyl]-1,2,3,6-tetrahydropyridine-6-carboxamide

C24H26F3N5O2 — CID 175445988

IUPAC(6R)-N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-[2-(difluoromethyl)-4-fluorophenyl]-1,2,3,6-tetrahydropyridine-6-carboxamide
SMILESCC(NC(=O)[C@H]1C=C(c2ccc(F)cc2C(F)F)CCN1)C(=O)N[C@@H]1CCc2nc(N)ccc21
InChIInChI=1S/C24H26F3N5O2/c1-12(23(33)32-19-6-5-18-16(19)4-7-21(28)31-18)30-24(34)20-10-13(8-9-29-20)15-3-2-14(25)11-17(15)22(26)27/h2-4,7,10-12,19-20,22,29H,5-6,8-9H2,1H3,(H2,28,31)(H,30,34)(H,32,33)/t12?,19-,20-/m1/s1
InChIKeyPGUPRSYKIZNKPQ-XCQSZAQHSA-N
MW473.50 g/mol
LogP2.79
Rot. Bonds6

About (6R)-N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-[2-(difluoromethyl)-4-fluorophenyl]-1,2,3,6-tetrahydropyridine-6-carboxamide

(6R)-N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-[2-(difluoromethyl)-4-fluorophenyl]-1,2,3,6-tetrahydropyridine-6-carboxamide (PubChem CID 175445988) has the molecular formula C24H26F3N5O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is (6R)-N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-[2-(difluoromethyl)-4-fluorophenyl]-1,2,3,6-tetrahydropyridine-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-[2-(difluoromethyl)-4-fluorophenyl]-1,2,3,6-tetrahydropyridine-6-carboxamide
PubChem CID175445988
Molecular FormulaC24H26F3N5O2
Molecular Weight473.50 g/mol
Exact Mass473.20
IUPAC Name(6R)-N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-[2-(difluoromethyl)-4-fluorophenyl]-1,2,3,6-tetrahydropyridine-6-carboxamide
SMILESCC(NC(=O)[C@H]1C=C(c2ccc(F)cc2C(F)F)CCN1)C(=O)N[C@@H]1CCc2nc(N)ccc21
InChIInChI=1S/C24H26F3N5O2/c1-12(23(33)32-19-6-5-18-16(19)4-7-21(28)31-18)30-24(34)20-10-13(8-9-29-20)15-3-2-14(25)11-17(15)22(26)27/h2-4,7,10-12,19-20,22,29H,5-6,8-9H2,1H3,(H2,28,31)(H,30,34)(H,32,33)/t12?,19-,20-/m1/s1
InChIKeyPGUPRSYKIZNKPQ-XCQSZAQHSA-N
XLogP2.79
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (6R)-N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-[2-(difluoromethyl)-4-fluorophenyl]-1,2,3,6-tetrahydropyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-[2-(difluoromethyl)-4-fluorophenyl]-1,2,3,6-tetrahydropyridine-6-carboxamide?
The IUPAC name of (6R)-N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-[2-(difluoromethyl)-4-fluorophenyl]-1,2,3,6-tetrahydropyridine-6-carboxamide (CID 175445988) is (6R)-N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-[2-(difluoromethyl)-4-fluorophenyl]-1,2,3,6-tetrahydropyridine-6-carboxamide.
What is the SMILES notation for (6R)-N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-[2-(difluoromethyl)-4-fluorophenyl]-1,2,3,6-tetrahydropyridine-6-carboxamide?
The canonical SMILES for (6R)-N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-[2-(difluoromethyl)-4-fluorophenyl]-1,2,3,6-tetrahydropyridine-6-carboxamide is CC(NC(=O)[C@H]1C=C(c2ccc(F)cc2C(F)F)CCN1)C(=O)N[C@@H]1CCc2nc(N)ccc21.
What is the InChIKey of (6R)-N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-[2-(difluoromethyl)-4-fluorophenyl]-1,2,3,6-tetrahydropyridine-6-carboxamide?
The InChIKey is PGUPRSYKIZNKPQ-XCQSZAQHSA-N. The full InChI is InChI=1S/C24H26F3N5O2/c1-12(23(33)32-19-6-5-18-16(19)4-7-21(28)31-18)30-24(34)20-10-13(8-9-29-20)15-3-2-14(25)11-17(15)22(26)27/h2-4,7,10-12,19-20,22,29H,5-6,8-9H2,1H3,(H2,28,31)(H,30,34)(H,32,33)/t12?,19-,20-/m1/s1.
What are the key properties of (6R)-N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-[2-(difluoromethyl)-4-fluorophenyl]-1,2,3,6-tetrahydropyridine-6-carboxamide?
(6R)-N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-[2-(difluoromethyl)-4-fluorophenyl]-1,2,3,6-tetrahydropyridine-6-carboxamide has a molecular weight of 473.50 g/mol, XLogP of 2.79, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-[2-(difluoromethyl)-4-fluorophenyl]-1,2,3,6-tetrahydropyridine-6-carboxamide is sourced from PubChem (CID 175445988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).