5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid

C21H25N7O3 — CID 58173507

IUPAC5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid
SMILESNc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccc(N4CCOCC4)nc3)cnn12
InChIInChI=1S/C21H25N7O3/c22-18-9-17(14-1-3-16(21(29)30)23-11-14)26-20-15(12-25-28(18)20)13-2-4-19(24-10-13)27-5-7-31-8-6-27/h2,4,9-10,12,14,16,23H,1,3,5-8,11,22H2,(H,29,30)
InChIKeyKIMPMDHLGYFXIJ-UHFFFAOYSA-N
MW423.48 g/mol
LogP1.13
Rot. Bonds4

About 5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid

5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid (PubChem CID 58173507) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is 5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid
PubChem CID58173507
Molecular FormulaC21H25N7O3
Molecular Weight423.48 g/mol
Exact Mass423.20
IUPAC Name5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid
SMILESNc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccc(N4CCOCC4)nc3)cnn12
InChIInChI=1S/C21H25N7O3/c22-18-9-17(14-1-3-16(21(29)30)23-11-14)26-20-15(12-25-28(18)20)13-2-4-19(24-10-13)27-5-7-31-8-6-27/h2,4,9-10,12,14,16,23H,1,3,5-8,11,22H2,(H,29,30)
InChIKeyKIMPMDHLGYFXIJ-UHFFFAOYSA-N
XLogP1.13
TPSA130.90 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid?
The IUPAC name of 5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid (CID 58173507) is 5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid.
What is the SMILES notation for 5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid?
The canonical SMILES for 5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid is Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccc(N4CCOCC4)nc3)cnn12.
What is the InChIKey of 5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid?
The InChIKey is KIMPMDHLGYFXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3/c22-18-9-17(14-1-3-16(21(29)30)23-11-14)26-20-15(12-25-28(18)20)13-2-4-19(24-10-13)27-5-7-31-8-6-27/h2,4,9-10,12,14,16,23H,1,3,5-8,11,22H2,(H,29,30).
What are the key properties of 5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid?
5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid has a molecular weight of 423.48 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid is sourced from PubChem (CID 58173507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).