(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-phenylpyrrolidine-1,2-dicarboxamide

C34H34ClFN6O2 — CID 137359360

IUPAC(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-phenylpyrrolidine-1,2-dicarboxamide
SMILESNC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC(=O)[C@H]2C[C@H](c3ccccc3)CN2C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C34H34ClFN6O2/c35-27-9-11-31(39-20-27)41-33(44)42-21-24(23-4-2-1-3-5-23)18-30(42)32(43)40-29-19-26(8-10-28(29)36)34(37,15-12-22-6-7-22)25-13-16-38-17-14-25/h1-5,8-11,13-14,16-17,19-20,22,24,30H,6-7,12,15,18,21,37H2,(H,40,43)(H,39,41,44)/t24-,30+,34?/m0/s1
InChIKeyDYWQLBIPOOGHBX-DDNXYRJESA-N
MW613.14 g/mol
LogP6.69
Rot. Bonds9

About (2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-phenylpyrrolidine-1,2-dicarboxamide

(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 137359360) has the molecular formula C34H34ClFN6O2 and a molecular weight of 613.14 g/mol. Its IUPAC name is (2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID137359360
Molecular FormulaC34H34ClFN6O2
Molecular Weight613.14 g/mol
Exact Mass612.24
IUPAC Name(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-phenylpyrrolidine-1,2-dicarboxamide
SMILESNC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC(=O)[C@H]2C[C@H](c3ccccc3)CN2C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C34H34ClFN6O2/c35-27-9-11-31(39-20-27)41-33(44)42-21-24(23-4-2-1-3-5-23)18-30(42)32(43)40-29-19-26(8-10-28(29)36)34(37,15-12-22-6-7-22)25-13-16-38-17-14-25/h1-5,8-11,13-14,16-17,19-20,22,24,30H,6-7,12,15,18,21,37H2,(H,40,43)(H,39,41,44)/t24-,30+,34?/m0/s1
InChIKeyDYWQLBIPOOGHBX-DDNXYRJESA-N
XLogP6.69
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.14
LogP ≤ 56.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-phenylpyrrolidine-1,2-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-phenylpyrrolidine-1,2-dicarboxamide (CID 137359360) is (2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-phenylpyrrolidine-1,2-dicarboxamide is NC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC(=O)[C@H]2C[C@H](c3ccccc3)CN2C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of (2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is DYWQLBIPOOGHBX-DDNXYRJESA-N. The full InChI is InChI=1S/C34H34ClFN6O2/c35-27-9-11-31(39-20-27)41-33(44)42-21-24(23-4-2-1-3-5-23)18-30(42)32(43)40-29-19-26(8-10-28(29)36)34(37,15-12-22-6-7-22)25-13-16-38-17-14-25/h1-5,8-11,13-14,16-17,19-20,22,24,30H,6-7,12,15,18,21,37H2,(H,40,43)(H,39,41,44)/t24-,30+,34?/m0/s1.
What are the key properties of (2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-phenylpyrrolidine-1,2-dicarboxamide?
(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 613.14 g/mol, XLogP of 6.69, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 137359360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).