(2-phenylmethoxycyclopentyl) 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate

C22H24N4O3 — CID 126644031

IUPAC(2-phenylmethoxycyclopentyl) 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
SMILESCn1cc(-c2cnc(N)c(C(=O)OC3CCCC3OCc3ccccc3)c2)cn1
InChIInChI=1S/C22H24N4O3/c1-26-13-17(12-25-26)16-10-18(21(23)24-11-16)22(27)29-20-9-5-8-19(20)28-14-15-6-3-2-4-7-15/h2-4,6-7,10-13,19-20H,5,8-9,14H2,1H3,(H2,23,24)
InChIKeyTYOCHKZYSOLQTQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.36
Rot. Bonds6

About (2-phenylmethoxycyclopentyl) 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate

(2-phenylmethoxycyclopentyl) 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate (PubChem CID 126644031) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2-phenylmethoxycyclopentyl) 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Name(2-phenylmethoxycyclopentyl) 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
PubChem CID126644031
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(2-phenylmethoxycyclopentyl) 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
SMILESCn1cc(-c2cnc(N)c(C(=O)OC3CCCC3OCc3ccccc3)c2)cn1
InChIInChI=1S/C22H24N4O3/c1-26-13-17(12-25-26)16-10-18(21(23)24-11-16)22(27)29-20-9-5-8-19(20)28-14-15-6-3-2-4-7-15/h2-4,6-7,10-13,19-20H,5,8-9,14H2,1H3,(H2,23,24)
InChIKeyTYOCHKZYSOLQTQ-UHFFFAOYSA-N
XLogP3.36
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-phenylmethoxycyclopentyl) 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate?
The IUPAC name of (2-phenylmethoxycyclopentyl) 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate (CID 126644031) is (2-phenylmethoxycyclopentyl) 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate.
What is the SMILES notation for (2-phenylmethoxycyclopentyl) 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate?
The canonical SMILES for (2-phenylmethoxycyclopentyl) 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate is Cn1cc(-c2cnc(N)c(C(=O)OC3CCCC3OCc3ccccc3)c2)cn1.
What is the InChIKey of (2-phenylmethoxycyclopentyl) 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate?
The InChIKey is TYOCHKZYSOLQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-26-13-17(12-25-26)16-10-18(21(23)24-11-16)22(27)29-20-9-5-8-19(20)28-14-15-6-3-2-4-7-15/h2-4,6-7,10-13,19-20H,5,8-9,14H2,1H3,(H2,23,24).
What are the key properties of (2-phenylmethoxycyclopentyl) 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate?
(2-phenylmethoxycyclopentyl) 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylmethoxycyclopentyl) 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate is sourced from PubChem (CID 126644031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).