2-[[5-[5-amino-1-(1-prop-1-enylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-pyridinyl]oxy]pyridine-4-carboxylic acid

C25H25N7O3 — CID 175409461

IUPAC2-[[5-[5-amino-1-(1-prop-1-enylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-pyridinyl]oxy]pyridine-4-carboxylic acid
SMILESCC=CN1CCCC(c2nc(-c3ccc(Oc4cc(C(=O)O)ccn4)nc3)n3c(N)nccc23)C1
InChIInChI=1S/C25H25N7O3/c1-2-11-31-12-3-4-18(15-31)22-19-8-10-28-25(26)32(19)23(30-22)17-5-6-20(29-14-17)35-21-13-16(24(33)34)7-9-27-21/h2,5-11,13-14,18H,3-4,12,15H2,1H3,(H2,26,28)(H,33,34)
InChIKeyNBNWDPKLTKOETB-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.97
Rot. Bonds6

About 2-[[5-[5-amino-1-(1-prop-1-enylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-pyridinyl]oxy]pyridine-4-carboxylic acid

2-[[5-[5-amino-1-(1-prop-1-enylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-pyridinyl]oxy]pyridine-4-carboxylic acid (PubChem CID 175409461) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is 2-[[5-[5-amino-1-(1-prop-1-enylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-pyridinyl]oxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[5-[5-amino-1-(1-prop-1-enylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-pyridinyl]oxy]pyridine-4-carboxylic acid
PubChem CID175409461
Molecular FormulaC25H25N7O3
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC Name2-[[5-[5-amino-1-(1-prop-1-enylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-pyridinyl]oxy]pyridine-4-carboxylic acid
SMILESCC=CN1CCCC(c2nc(-c3ccc(Oc4cc(C(=O)O)ccn4)nc3)n3c(N)nccc23)C1
InChIInChI=1S/C25H25N7O3/c1-2-11-31-12-3-4-18(15-31)22-19-8-10-28-25(26)32(19)23(30-22)17-5-6-20(29-14-17)35-21-13-16(24(33)34)7-9-27-21/h2,5-11,13-14,18H,3-4,12,15H2,1H3,(H2,26,28)(H,33,34)
InChIKeyNBNWDPKLTKOETB-UHFFFAOYSA-N
XLogP3.97
TPSA131.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[5-[5-amino-1-(1-prop-1-enylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-pyridinyl]oxy]pyridine-4-carboxylic acid with MolForge

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Related Compounds

2-[4-[5-amino-1-(1-prop-1-enylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-chlorophenoxy]pyridine-4-carboxylic acid
CID 175409415
2-[[5-[5-amino-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-pyridinyl]oxy]pyridine-4-carboxylic acid
CID 175409455
2-[4-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-3-fluorophenoxy]pyridine-4-carboxylic acid
CID 175882926
4-[5-amino-1-(1-prop-1-enylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-3-cyano-N-(4-cyano-2-pyridinyl)benzamide
CID 175409493
1-[3-[5-amino-3-(3-methoxy-4-pyridin-2-yloxyphenyl)imidazo[1,5-c]pyrimidin-1-yl]pyrrolidin-1-yl]but-2-yn-1-one
CID 134264680
1-[3-[5-amino-3-[3-chloro-4-[(4-cyclopropyl-2-pyridinyl)oxy]phenyl]imidazo[1,5-c]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 134265190
2-[4-[5-amino-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-chlorophenoxy]pyridine-4-carbonitrile
CID 134265046
1-[3-[5-amino-3-[3-fluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 134264684
1-[3-[5-amino-3-[3-chloro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 134264748
5-[5-amino-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 134265100
5-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 175882942
1-[3-[5-amino-3-[4-[(4-cyclopropyl-2-pyridinyl)oxy]-2-fluorophenyl]imidazo[1,5-c]pyrimidin-1-yl]piperidin-1-yl]but-2-yn-1-one
CID 134265121

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[5-amino-1-(1-prop-1-enylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-pyridinyl]oxy]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[5-[5-amino-1-(1-prop-1-enylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-pyridinyl]oxy]pyridine-4-carboxylic acid (CID 175409461) is 2-[[5-[5-amino-1-(1-prop-1-enylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-pyridinyl]oxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[5-[5-amino-1-(1-prop-1-enylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-pyridinyl]oxy]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[5-[5-amino-1-(1-prop-1-enylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-pyridinyl]oxy]pyridine-4-carboxylic acid is CC=CN1CCCC(c2nc(-c3ccc(Oc4cc(C(=O)O)ccn4)nc3)n3c(N)nccc23)C1.
What is the InChIKey of 2-[[5-[5-amino-1-(1-prop-1-enylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-pyridinyl]oxy]pyridine-4-carboxylic acid?
The InChIKey is NBNWDPKLTKOETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3/c1-2-11-31-12-3-4-18(15-31)22-19-8-10-28-25(26)32(19)23(30-22)17-5-6-20(29-14-17)35-21-13-16(24(33)34)7-9-27-21/h2,5-11,13-14,18H,3-4,12,15H2,1H3,(H2,26,28)(H,33,34).
What are the key properties of 2-[[5-[5-amino-1-(1-prop-1-enylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-pyridinyl]oxy]pyridine-4-carboxylic acid?
2-[[5-[5-amino-1-(1-prop-1-enylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-pyridinyl]oxy]pyridine-4-carboxylic acid has a molecular weight of 471.52 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[5-amino-1-(1-prop-1-enylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-pyridinyl]oxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 175409461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).