N-[5-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-2-pyridinyl]acetamide

C23H22N6O3 — CID 66829118

IUPACN-[5-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)cn1
InChIInChI=1S/C23H22N6O3/c1-14(30)27-20-3-2-16(13-26-20)19-12-15(4-8-24-19)22-21-18(28-29-22)5-9-25-23(21)32-17-6-10-31-11-7-17/h2-5,8-9,12-13,17H,6-7,10-11H2,1H3,(H,28,29)(H,26,27,30)
InChIKeyXTNLDCMODKTAKI-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.60
Rot. Bonds5

About N-[5-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-2-pyridinyl]acetamide

N-[5-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 66829118) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[5-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-2-pyridinyl]acetamide
PubChem CID66829118
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC NameN-[5-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)cn1
InChIInChI=1S/C23H22N6O3/c1-14(30)27-20-3-2-16(13-26-20)19-12-15(4-8-24-19)22-21-18(28-29-22)5-9-25-23(21)32-17-6-10-31-11-7-17/h2-5,8-9,12-13,17H,6-7,10-11H2,1H3,(H,28,29)(H,26,27,30)
InChIKeyXTNLDCMODKTAKI-UHFFFAOYSA-N
XLogP3.60
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-2-pyridinyl]acetamide (CID 66829118) is N-[5-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)cn1.
What is the InChIKey of N-[5-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is XTNLDCMODKTAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-14(30)27-20-3-2-16(13-26-20)19-12-15(4-8-24-19)22-21-18(28-29-22)5-9-25-23(21)32-17-6-10-31-11-7-17/h2-5,8-9,12-13,17H,6-7,10-11H2,1H3,(H,28,29)(H,26,27,30).
What are the key properties of N-[5-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-2-pyridinyl]acetamide?
N-[5-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 430.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 66829118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).