(3R)-2-tert-butyl-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid

C22H27N7O3 — CID 66670454

IUPAC(3R)-2-tert-butyl-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid
SMILESCC(C)(C)C1[C@H](Nc2cncc(-c3cnc4cc(C(N)=O)ccn34)n2)CCCN1C(=O)O
InChIInChI=1S/C22H27N7O3/c1-22(2,3)19-14(5-4-7-29(19)21(31)32)26-17-12-24-10-15(27-17)16-11-25-18-9-13(20(23)30)6-8-28(16)18/h6,8-12,14,19H,4-5,7H2,1-3H3,(H2,23,30)(H,26,27)(H,31,32)/t14-,19?/m1/s1
InChIKeyAXKHPIONCZQXOA-MJTSIZKDSA-N
MW437.50 g/mol
LogP2.86
Rot. Bonds4

About (3R)-2-tert-butyl-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid

(3R)-2-tert-butyl-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid (PubChem CID 66670454) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is (3R)-2-tert-butyl-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-2-tert-butyl-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid
PubChem CID66670454
Molecular FormulaC22H27N7O3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC Name(3R)-2-tert-butyl-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid
SMILESCC(C)(C)C1[C@H](Nc2cncc(-c3cnc4cc(C(N)=O)ccn34)n2)CCCN1C(=O)O
InChIInChI=1S/C22H27N7O3/c1-22(2,3)19-14(5-4-7-29(19)21(31)32)26-17-12-24-10-15(27-17)16-11-25-18-9-13(20(23)30)6-8-28(16)18/h6,8-12,14,19H,4-5,7H2,1-3H3,(H2,23,30)(H,26,27)(H,31,32)/t14-,19?/m1/s1
InChIKeyAXKHPIONCZQXOA-MJTSIZKDSA-N
XLogP2.86
TPSA138.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-tert-butyl-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of (3R)-2-tert-butyl-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid (CID 66670454) is (3R)-2-tert-butyl-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for (3R)-2-tert-butyl-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for (3R)-2-tert-butyl-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid is CC(C)(C)C1[C@H](Nc2cncc(-c3cnc4cc(C(N)=O)ccn34)n2)CCCN1C(=O)O.
What is the InChIKey of (3R)-2-tert-butyl-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is AXKHPIONCZQXOA-MJTSIZKDSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-22(2,3)19-14(5-4-7-29(19)21(31)32)26-17-12-24-10-15(27-17)16-11-25-18-9-13(20(23)30)6-8-28(16)18/h6,8-12,14,19H,4-5,7H2,1-3H3,(H2,23,30)(H,26,27)(H,31,32)/t14-,19?/m1/s1.
What are the key properties of (3R)-2-tert-butyl-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid?
(3R)-2-tert-butyl-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 437.50 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-tert-butyl-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 66670454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).