4-[6-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid

C20H23N7O3 — CID 18455530

IUPAC4-[6-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid
SMILESCC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCN(C(=O)O)CC4)cn3)nc21
InChIInChI=1S/C20H23N7O3/c1-13(2)27-17(28)6-3-14-11-22-19(24-18(14)27)23-16-5-4-15(12-21-16)25-7-9-26(10-8-25)20(29)30/h3-6,11-13H,7-10H2,1-2H3,(H,29,30)(H,21,22,23,24)
InChIKeyJZQUUUGDNHEXCO-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.31
Rot. Bonds4

About 4-[6-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid

4-[6-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 18455530) has the molecular formula C20H23N7O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 4-[6-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid
PubChem CID18455530
Molecular FormulaC20H23N7O3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC Name4-[6-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid
SMILESCC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCN(C(=O)O)CC4)cn3)nc21
InChIInChI=1S/C20H23N7O3/c1-13(2)27-17(28)6-3-14-11-22-19(24-18(14)27)23-16-5-4-15(12-21-16)25-7-9-26(10-8-25)20(29)30/h3-6,11-13H,7-10H2,1-2H3,(H,29,30)(H,21,22,23,24)
InChIKeyJZQUUUGDNHEXCO-UHFFFAOYSA-N
XLogP2.31
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[6-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid (CID 18455530) is 4-[6-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[6-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[6-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid is CC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCN(C(=O)O)CC4)cn3)nc21.
What is the InChIKey of 4-[6-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is JZQUUUGDNHEXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O3/c1-13(2)27-17(28)6-3-14-11-22-19(24-18(14)27)23-16-5-4-15(12-21-16)25-7-9-26(10-8-25)20(29)30/h3-6,11-13H,7-10H2,1-2H3,(H,29,30)(H,21,22,23,24).
What are the key properties of 4-[6-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid?
4-[6-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 409.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 18455530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).