(5-methoxy-2-methoxycarbonylphenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate

C24H26N6O6 — CID 142325702

IUPAC(5-methoxy-2-methoxycarbonylphenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate
SMILESCOC(=O)c1ccc(OC)cc1OC(=O)N1CC[C@@H](NC(=O)c2cc(-c3cnn(C)c3)cnc2N)C1
InChIInChI=1S/C24H26N6O6/c1-29-12-15(11-27-29)14-8-19(21(25)26-10-14)22(31)28-16-6-7-30(13-16)24(33)36-20-9-17(34-2)4-5-18(20)23(32)35-3/h4-5,8-12,16H,6-7,13H2,1-3H3,(H2,25,26)(H,28,31)/t16-/m1/s1
InChIKeyILDJNCKTJGRNDI-MRXNPFEDSA-N
MW494.51 g/mol
LogP1.86
Rot. Bonds6

About (5-methoxy-2-methoxycarbonylphenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate

(5-methoxy-2-methoxycarbonylphenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate (PubChem CID 142325702) has the molecular formula C24H26N6O6 and a molecular weight of 494.51 g/mol. Its IUPAC name is (5-methoxy-2-methoxycarbonylphenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(5-methoxy-2-methoxycarbonylphenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate
PubChem CID142325702
Molecular FormulaC24H26N6O6
Molecular Weight494.51 g/mol
Exact Mass494.19
IUPAC Name(5-methoxy-2-methoxycarbonylphenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate
SMILESCOC(=O)c1ccc(OC)cc1OC(=O)N1CC[C@@H](NC(=O)c2cc(-c3cnn(C)c3)cnc2N)C1
InChIInChI=1S/C24H26N6O6/c1-29-12-15(11-27-29)14-8-19(21(25)26-10-14)22(31)28-16-6-7-30(13-16)24(33)36-20-9-17(34-2)4-5-18(20)23(32)35-3/h4-5,8-12,16H,6-7,13H2,1-3H3,(H2,25,26)(H,28,31)/t16-/m1/s1
InChIKeyILDJNCKTJGRNDI-MRXNPFEDSA-N
XLogP1.86
TPSA150.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

(3-bromophenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 142325421
[6-[2-(dimethylamino)ethoxy]naphthalen-2-yl] (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 142326329
2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[(3,4,5-trimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 142325442
2-amino-N-[(3R)-1-[4-[4-(4-aminophenoxy)phenyl]benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325547
2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol
CID 145269463
2-amino-N-[(3R)-1-[4-(4-methoxy-3,5-dimethylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326073
2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[4-(4-pyridin-4-yloxyphenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 142325717
2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[4-(2-phenoxyphenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 142326316
[3-[4-[(azetidin-3-ylmethylamino)methyl]phenyl]phenyl] (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 142326107
2-amino-N-[(3R)-1-[6-[2-(dimethylamino)ethoxy]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325961
[3-[4-[[(2S)-2-carbamoylpyrrolidin-1-yl]methyl]phenyl]phenyl] (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 142325454
[3-[4-[[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]phenyl]phenyl] (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 142325779

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-methoxycarbonylphenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of (5-methoxy-2-methoxycarbonylphenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate (CID 142325702) is (5-methoxy-2-methoxycarbonylphenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for (5-methoxy-2-methoxycarbonylphenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for (5-methoxy-2-methoxycarbonylphenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate is COC(=O)c1ccc(OC)cc1OC(=O)N1CC[C@@H](NC(=O)c2cc(-c3cnn(C)c3)cnc2N)C1.
What is the InChIKey of (5-methoxy-2-methoxycarbonylphenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate?
The InChIKey is ILDJNCKTJGRNDI-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26N6O6/c1-29-12-15(11-27-29)14-8-19(21(25)26-10-14)22(31)28-16-6-7-30(13-16)24(33)36-20-9-17(34-2)4-5-18(20)23(32)35-3/h4-5,8-12,16H,6-7,13H2,1-3H3,(H2,25,26)(H,28,31)/t16-/m1/s1.
What are the key properties of (5-methoxy-2-methoxycarbonylphenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate?
(5-methoxy-2-methoxycarbonylphenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate has a molecular weight of 494.51 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-methoxycarbonylphenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 142325702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).