propan-2-yl N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate

C28H32N8O3 — CID 134436333

IUPACpropan-2-yl N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
SMILESCC(C)OC(=O)NC1(C)CCN(c2ccc(-c3cc(OCc4cn(C)cn4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C28H32N8O3/c1-19(2)39-27(37)33-28(3)7-9-35(10-8-28)25-6-5-20(13-30-25)24-11-23(38-17-22-15-34(4)18-31-22)16-36-26(24)21(12-29)14-32-36/h5-6,11,13-16,18-19H,7-10,17H2,1-4H3,(H,33,37)
InChIKeyNKDGOSJBDKNJHN-UHFFFAOYSA-N
MW528.62 g/mol
LogP4.07
Rot. Bonds7

About propan-2-yl N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate

propan-2-yl N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate (PubChem CID 134436333) has the molecular formula C28H32N8O3 and a molecular weight of 528.62 g/mol. Its IUPAC name is propan-2-yl N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
PubChem CID134436333
Molecular FormulaC28H32N8O3
Molecular Weight528.62 g/mol
Exact Mass528.26
IUPAC Namepropan-2-yl N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
SMILESCC(C)OC(=O)NC1(C)CCN(c2ccc(-c3cc(OCc4cn(C)cn4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C28H32N8O3/c1-19(2)39-27(37)33-28(3)7-9-35(10-8-28)25-6-5-20(13-30-25)24-11-23(38-17-22-15-34(4)18-31-22)16-36-26(24)21(12-29)14-32-36/h5-6,11,13-16,18-19H,7-10,17H2,1-4H3,(H,33,37)
InChIKeyNKDGOSJBDKNJHN-UHFFFAOYSA-N
XLogP4.07
TPSA122.60 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.62
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate?
The IUPAC name of propan-2-yl N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate (CID 134436333) is propan-2-yl N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate?
The canonical SMILES for propan-2-yl N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate is CC(C)OC(=O)NC1(C)CCN(c2ccc(-c3cc(OCc4cn(C)cn4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of propan-2-yl N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate?
The InChIKey is NKDGOSJBDKNJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O3/c1-19(2)39-27(37)33-28(3)7-9-35(10-8-28)25-6-5-20(13-30-25)24-11-23(38-17-22-15-34(4)18-31-22)16-36-26(24)21(12-29)14-32-36/h5-6,11,13-16,18-19H,7-10,17H2,1-4H3,(H,33,37).
What are the key properties of propan-2-yl N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate?
propan-2-yl N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate has a molecular weight of 528.62 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 134436333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).