4-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid

C21H19N5O3 — CID 141446586

IUPAC4-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cc(=O)[nH]c3c4c(-c5ccccn5)cccc4nn23)CC1
InChIInChI=1S/C21H19N5O3/c27-18-12-17(13-7-10-25(11-8-13)21(28)29)26-20(23-18)19-14(4-3-6-16(19)24-26)15-5-1-2-9-22-15/h1-6,9,12-13H,7-8,10-11H2,(H,23,27)(H,28,29)
InChIKeyJIRNJBYISPBCJG-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.10
Rot. Bonds2

About 4-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid

4-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid (PubChem CID 141446586) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
PubChem CID141446586
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name4-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cc(=O)[nH]c3c4c(-c5ccccn5)cccc4nn23)CC1
InChIInChI=1S/C21H19N5O3/c27-18-12-17(13-7-10-25(11-8-13)21(28)29)26-20(23-18)19-14(4-3-6-16(19)24-26)15-5-1-2-9-22-15/h1-6,9,12-13H,7-8,10-11H2,(H,23,27)(H,28,29)
InChIKeyJIRNJBYISPBCJG-UHFFFAOYSA-N
XLogP3.10
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid (CID 141446586) is 4-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(c2cc(=O)[nH]c3c4c(-c5ccccn5)cccc4nn23)CC1.
What is the InChIKey of 4-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid?
The InChIKey is JIRNJBYISPBCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c27-18-12-17(13-7-10-25(11-8-13)21(28)29)26-20(23-18)19-14(4-3-6-16(19)24-26)15-5-1-2-9-22-15/h1-6,9,12-13H,7-8,10-11H2,(H,23,27)(H,28,29).
What are the key properties of 4-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid?
4-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid has a molecular weight of 389.42 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 141446586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).