(2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid

C19H18N8O2 — CID 90369682

IUPAC(2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESCn1cc(Nc2nccc(-c3cnc(N4CCC[C@@H]4C(=O)O)c(C#N)c3)n2)cn1
InChIInChI=1S/C19H18N8O2/c1-26-11-14(10-23-26)24-19-21-5-4-15(25-19)13-7-12(8-20)17(22-9-13)27-6-2-3-16(27)18(28)29/h4-5,7,9-11,16H,2-3,6H2,1H3,(H,28,29)(H,21,24,25)/t16-/m1/s1
InChIKeyKBNXBTCDRKTDCR-MRXNPFEDSA-N
MW390.41 g/mol
LogP1.94
Rot. Bonds5

About (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid

(2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid (PubChem CID 90369682) has the molecular formula C19H18N8O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid
PubChem CID90369682
Molecular FormulaC19H18N8O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name(2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESCn1cc(Nc2nccc(-c3cnc(N4CCC[C@@H]4C(=O)O)c(C#N)c3)n2)cn1
InChIInChI=1S/C19H18N8O2/c1-26-11-14(10-23-26)24-19-21-5-4-15(25-19)13-7-12(8-20)17(22-9-13)27-6-2-3-16(27)18(28)29/h4-5,7,9-11,16H,2-3,6H2,1H3,(H,28,29)(H,21,24,25)/t16-/m1/s1
InChIKeyKBNXBTCDRKTDCR-MRXNPFEDSA-N
XLogP1.94
TPSA132.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

US9433622, Dmx-36
CID 78322872
US9433622, Dmx-39
CID 78322874
US9433622, Dmx-7
CID 78323184
US9433622, Dmx-46
CID 78323185
US9433622, Dmx-51
CID 78323188
US9433622, Dmx-42
CID 78323512
US9433622, Dmx-16
CID 78323832
US9433622, Dmx-33
CID 78324740
US9433622, Dmx-38
CID 90369540
US9433622, Dmx-41
CID 90369683
(2R,3S)-1-[2-[5-cyano-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoropyrimidin-4-yl]-3-methylpiperidine-2-carboxylic acid
CID 118233468
US9433622, Dmx-116
CID 118619984

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid (CID 90369682) is (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid is Cn1cc(Nc2nccc(-c3cnc(N4CCC[C@@H]4C(=O)O)c(C#N)c3)n2)cn1.
What is the InChIKey of (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KBNXBTCDRKTDCR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N8O2/c1-26-11-14(10-23-26)24-19-21-5-4-15(25-19)13-7-12(8-20)17(22-9-13)27-6-2-3-16(27)18(28)29/h4-5,7,9-11,16H,2-3,6H2,1H3,(H,28,29)(H,21,24,25)/t16-/m1/s1.
What are the key properties of (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid has a molecular weight of 390.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 90369682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).