2-[3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid

C18H24N6O3 — CID 56711368

IUPAC2-[3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
SMILESCc1nc(N(C)C)ncc1C(=O)N1CCC(c2cc(CC(=O)O)[nH]n2)CC1
InChIInChI=1S/C18H24N6O3/c1-11-14(10-19-18(20-11)23(2)3)17(27)24-6-4-12(5-7-24)15-8-13(21-22-15)9-16(25)26/h8,10,12H,4-7,9H2,1-3H3,(H,21,22)(H,25,26)
InChIKeyHPMSEPISDFPKCC-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.22
Rot. Bonds5

About 2-[3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid

2-[3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid (PubChem CID 56711368) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
PubChem CID56711368
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name2-[3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
SMILESCc1nc(N(C)C)ncc1C(=O)N1CCC(c2cc(CC(=O)O)[nH]n2)CC1
InChIInChI=1S/C18H24N6O3/c1-11-14(10-19-18(20-11)23(2)3)17(27)24-6-4-12(5-7-24)15-8-13(21-22-15)9-16(25)26/h8,10,12H,4-7,9H2,1-3H3,(H,21,22)(H,25,26)
InChIKeyHPMSEPISDFPKCC-UHFFFAOYSA-N
XLogP1.22
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid?
The IUPAC name of 2-[3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid (CID 56711368) is 2-[3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid is Cc1nc(N(C)C)ncc1C(=O)N1CCC(c2cc(CC(=O)O)[nH]n2)CC1.
What is the InChIKey of 2-[3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid?
The InChIKey is HPMSEPISDFPKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-11-14(10-19-18(20-11)23(2)3)17(27)24-6-4-12(5-7-24)15-8-13(21-22-15)9-16(25)26/h8,10,12H,4-7,9H2,1-3H3,(H,21,22)(H,25,26).
What are the key properties of 2-[3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid?
2-[3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid has a molecular weight of 372.43 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid is sourced from PubChem (CID 56711368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).