(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(ethylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

C32H38ClFN6O3 — CID 137359318

IUPAC(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(ethylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCCNC(CCC1CC1)(c1ccnc(C)c1)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C32H38ClFN6O3/c1-4-37-32(13-11-21-5-6-21,23-12-14-35-20(2)15-23)22-7-9-26(34)27(16-22)38-30(41)28-17-25(43-3)19-40(28)31(42)39-29-10-8-24(33)18-36-29/h7-10,12,14-16,18,21,25,28,37H,4-6,11,13,17,19H2,1-3H3,(H,38,41)(H,36,39,42)/t25-,28-,32?/m1/s1
InChIKeyGNWSEMQWKUFLTO-OHCGPUKPSA-N
MW609.15 g/mol
LogP5.88
Rot. Bonds11

About (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(ethylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(ethylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (PubChem CID 137359318) has the molecular formula C32H38ClFN6O3 and a molecular weight of 609.15 g/mol. Its IUPAC name is (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(ethylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(ethylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
PubChem CID137359318
Molecular FormulaC32H38ClFN6O3
Molecular Weight609.15 g/mol
Exact Mass608.27
IUPAC Name(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(ethylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCCNC(CCC1CC1)(c1ccnc(C)c1)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C32H38ClFN6O3/c1-4-37-32(13-11-21-5-6-21,23-12-14-35-20(2)15-23)22-7-9-26(34)27(16-22)38-30(41)28-17-25(43-3)19-40(28)31(42)39-29-10-8-24(33)18-36-29/h7-10,12,14-16,18,21,25,28,37H,4-6,11,13,17,19H2,1-3H3,(H,38,41)(H,36,39,42)/t25-,28-,32?/m1/s1
InChIKeyGNWSEMQWKUFLTO-OHCGPUKPSA-N
XLogP5.88
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.15
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(ethylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(ethylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(ethylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (CID 137359318) is (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(ethylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(ethylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(ethylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is CCNC(CCC1CC1)(c1ccnc(C)c1)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(ethylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is GNWSEMQWKUFLTO-OHCGPUKPSA-N. The full InChI is InChI=1S/C32H38ClFN6O3/c1-4-37-32(13-11-21-5-6-21,23-12-14-35-20(2)15-23)22-7-9-26(34)27(16-22)38-30(41)28-17-25(43-3)19-40(28)31(42)39-29-10-8-24(33)18-36-29/h7-10,12,14-16,18,21,25,28,37H,4-6,11,13,17,19H2,1-3H3,(H,38,41)(H,36,39,42)/t25-,28-,32?/m1/s1.
What are the key properties of (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(ethylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(ethylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 609.15 g/mol, XLogP of 5.88, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(ethylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 137359318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).