N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(4-ethylmorpholin-2-yl)acetamide

C34H40N8O3 — CID 134436562

IUPACN-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(4-ethylmorpholin-2-yl)acetamide
SMILESCCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)CC4CN(CC)CCO4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C34H40N8O3/c1-3-40-15-16-45-29(23-40)18-32(43)39-34(19-27-7-5-6-12-36-27)10-13-41(14-11-34)31-9-8-25(21-37-31)30-17-28(44-4-2)24-42-33(30)26(20-35)22-38-42/h5-9,12,17,21-22,24,29H,3-4,10-11,13-16,18-19,23H2,1-2H3,(H,39,43)
InChIKeyLPINGDJZBBLXSA-UHFFFAOYSA-N
MW608.75 g/mol
LogP3.87
Rot. Bonds10

About N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(4-ethylmorpholin-2-yl)acetamide

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(4-ethylmorpholin-2-yl)acetamide (PubChem CID 134436562) has the molecular formula C34H40N8O3 and a molecular weight of 608.75 g/mol. Its IUPAC name is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(4-ethylmorpholin-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(4-ethylmorpholin-2-yl)acetamide
PubChem CID134436562
Molecular FormulaC34H40N8O3
Molecular Weight608.75 g/mol
Exact Mass608.32
IUPAC NameN-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(4-ethylmorpholin-2-yl)acetamide
SMILESCCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)CC4CN(CC)CCO4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C34H40N8O3/c1-3-40-15-16-45-29(23-40)18-32(43)39-34(19-27-7-5-6-12-36-27)10-13-41(14-11-34)31-9-8-25(21-37-31)30-17-28(44-4-2)24-42-33(30)26(20-35)22-38-42/h5-9,12,17,21-22,24,29H,3-4,10-11,13-16,18-19,23H2,1-2H3,(H,39,43)
InChIKeyLPINGDJZBBLXSA-UHFFFAOYSA-N
XLogP3.87
TPSA120.91 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.75
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(4-ethylmorpholin-2-yl)acetamide with MolForge

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Related Compounds

CID 134436906
CID 134436906
CID 134437053
CID 134437053
CID 164605307
CID 164605307
CID 134435575
CID 134435575
CID 134436703
CID 134436703
CID 118203883
CID 118203883
CID 122667730
CID 122667730
CID 134434568
CID 134434568
CID 134434572
CID 134434572
CID 134434595
CID 134434595
CID 134434596
CID 134434596
CID 134434597
CID 134434597

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(4-ethylmorpholin-2-yl)acetamide?
The IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(4-ethylmorpholin-2-yl)acetamide (CID 134436562) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(4-ethylmorpholin-2-yl)acetamide.
What is the SMILES notation for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(4-ethylmorpholin-2-yl)acetamide?
The canonical SMILES for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(4-ethylmorpholin-2-yl)acetamide is CCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)CC4CN(CC)CCO4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(4-ethylmorpholin-2-yl)acetamide?
The InChIKey is LPINGDJZBBLXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N8O3/c1-3-40-15-16-45-29(23-40)18-32(43)39-34(19-27-7-5-6-12-36-27)10-13-41(14-11-34)31-9-8-25(21-37-31)30-17-28(44-4-2)24-42-33(30)26(20-35)22-38-42/h5-9,12,17,21-22,24,29H,3-4,10-11,13-16,18-19,23H2,1-2H3,(H,39,43).
What are the key properties of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(4-ethylmorpholin-2-yl)acetamide?
N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(4-ethylmorpholin-2-yl)acetamide has a molecular weight of 608.75 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(4-ethylmorpholin-2-yl)acetamide is sourced from PubChem (CID 134436562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).