(3S,4R)-4-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]pyrrolidine-3-carboxylic acid

C25H27N7O4 — CID 167178609

IUPAC(3S,4R)-4-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]pyrrolidine-3-carboxylic acid
SMILESNc1ncc(-c2ccc([C@@H]3CNC[C@H]3C(=O)O)cc2)nc1C(=O)Nc1cnccc1N1CCOCC1
InChIInChI=1S/C25H27N7O4/c26-23-22(24(33)31-20-13-27-6-5-21(20)32-7-9-36-10-8-32)30-19(14-29-23)16-3-1-15(2-4-16)17-11-28-12-18(17)25(34)35/h1-6,13-14,17-18,28H,7-12H2,(H2,26,29)(H,31,33)(H,34,35)/t17-,18+/m0/s1
InChIKeyGMACSYVSVDNRSC-ZWKOTPCHSA-N
MW489.54 g/mol
LogP1.60
Rot. Bonds6

About (3S,4R)-4-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]pyrrolidine-3-carboxylic acid

(3S,4R)-4-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 167178609) has the molecular formula C25H27N7O4 and a molecular weight of 489.54 g/mol. Its IUPAC name is (3S,4R)-4-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-4-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]pyrrolidine-3-carboxylic acid
PubChem CID167178609
Molecular FormulaC25H27N7O4
Molecular Weight489.54 g/mol
Exact Mass489.21
IUPAC Name(3S,4R)-4-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]pyrrolidine-3-carboxylic acid
SMILESNc1ncc(-c2ccc([C@@H]3CNC[C@H]3C(=O)O)cc2)nc1C(=O)Nc1cnccc1N1CCOCC1
InChIInChI=1S/C25H27N7O4/c26-23-22(24(33)31-20-13-27-6-5-21(20)32-7-9-36-10-8-32)30-19(14-29-23)16-3-1-15(2-4-16)17-11-28-12-18(17)25(34)35/h1-6,13-14,17-18,28H,7-12H2,(H2,26,29)(H,31,33)(H,34,35)/t17-,18+/m0/s1
InChIKeyGMACSYVSVDNRSC-ZWKOTPCHSA-N
XLogP1.60
TPSA155.59 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (3S,4R)-4-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]pyrrolidine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

3-amino-6-[4-(aminomethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 137357434
3-amino-6-[4-[(1-iodopiperidin-4-yl)-methylamino]phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167178633
CID 174022880
CID 174022880
CID 174022831
CID 174022831
3-amino-6-(4-iodo-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167178628
3-amino-6-[4-[[[(2S)-1-iodopyrrolidine-2-carbonyl]amino]methyl]phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167178568
3-amino-6-(3-methoxy-2,3-dihydro-1H-inden-5-yl)-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167697728
3-amino-6-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167710858
CID 174022942
CID 174022942
tert-butyl 6-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 156743361
benzyl N-[2-[3-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenoxy]ethyl]carbamate;ethane
CID 156743329
3-amino-6-[4-(8-methyl-5-oxo-8-sulfanylnonan-2-yl)oxyphenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167567544

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-4-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]pyrrolidine-3-carboxylic acid (CID 167178609) is (3S,4R)-4-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-4-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-4-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]pyrrolidine-3-carboxylic acid is Nc1ncc(-c2ccc([C@@H]3CNC[C@H]3C(=O)O)cc2)nc1C(=O)Nc1cnccc1N1CCOCC1.
What is the InChIKey of (3S,4R)-4-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GMACSYVSVDNRSC-ZWKOTPCHSA-N. The full InChI is InChI=1S/C25H27N7O4/c26-23-22(24(33)31-20-13-27-6-5-21(20)32-7-9-36-10-8-32)30-19(14-29-23)16-3-1-15(2-4-16)17-11-28-12-18(17)25(34)35/h1-6,13-14,17-18,28H,7-12H2,(H2,26,29)(H,31,33)(H,34,35)/t17-,18+/m0/s1.
What are the key properties of (3S,4R)-4-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]pyrrolidine-3-carboxylic acid?
(3S,4R)-4-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 489.54 g/mol, XLogP of 1.60, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 167178609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).