(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid

C16H14FN5O2 — CID 67256778

IUPAC(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ccnc(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C16H14FN5O2/c17-10-3-4-13-19-8-12(22(13)9-10)15-18-6-5-14(20-15)21-7-1-2-11(21)16(23)24/h3-6,8-9,11H,1-2,7H2,(H,23,24)/t11-/m0/s1
InChIKeyQGVDCPJRYIFHCI-NSHDSACASA-N
MW327.32 g/mol
LogP1.98
Rot. Bonds3

About (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 67256778) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID67256778
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ccnc(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C16H14FN5O2/c17-10-3-4-13-19-8-12(22(13)9-10)15-18-6-5-14(20-15)21-7-1-2-11(21)16(23)24/h3-6,8-9,11H,1-2,7H2,(H,23,24)/t11-/m0/s1
InChIKeyQGVDCPJRYIFHCI-NSHDSACASA-N
XLogP1.98
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid (CID 67256778) is (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1c1ccnc(-c2cnc3ccc(F)cn23)n1.
What is the InChIKey of (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is QGVDCPJRYIFHCI-NSHDSACASA-N. The full InChI is InChI=1S/C16H14FN5O2/c17-10-3-4-13-19-8-12(22(13)9-10)15-18-6-5-14(20-15)21-7-1-2-11(21)16(23)24/h3-6,8-9,11H,1-2,7H2,(H,23,24)/t11-/m0/s1.
What are the key properties of (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 327.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67256778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).