6-(cyclopropylmethoxy)-4-[6-[1-(2-methylpropylimino)-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C24H29N7O2S — CID 166047423

IUPAC6-(cyclopropylmethoxy)-4-[6-[1-(2-methylpropylimino)-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCC(C)CN=S1(=O)CCN(c2ccc(-c3nc(OCC4CC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C24H29N7O2S/c1-17(2)12-28-34(32)9-7-30(8-10-34)21-6-5-19(13-26-21)23-24-20(11-25)14-27-31(24)15-22(29-23)33-16-18-3-4-18/h5-6,13-15,17-18H,3-4,7-10,12,16H2,1-2H3
InChIKeyQCSUWYQGLKOUAW-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.40
Rot. Bonds7

About 6-(cyclopropylmethoxy)-4-[6-[1-(2-methylpropylimino)-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

6-(cyclopropylmethoxy)-4-[6-[1-(2-methylpropylimino)-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 166047423) has the molecular formula C24H29N7O2S and a molecular weight of 479.61 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-4-[6-[1-(2-methylpropylimino)-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-4-[6-[1-(2-methylpropylimino)-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID166047423
Molecular FormulaC24H29N7O2S
Molecular Weight479.61 g/mol
Exact Mass479.21
IUPAC Name6-(cyclopropylmethoxy)-4-[6-[1-(2-methylpropylimino)-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCC(C)CN=S1(=O)CCN(c2ccc(-c3nc(OCC4CC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C24H29N7O2S/c1-17(2)12-28-34(32)9-7-30(8-10-34)21-6-5-19(13-26-21)23-24-20(11-25)14-27-31(24)15-22(29-23)33-16-18-3-4-18/h5-6,13-15,17-18H,3-4,7-10,12,16H2,1-2H3
InChIKeyQCSUWYQGLKOUAW-UHFFFAOYSA-N
XLogP3.40
TPSA108.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-(cyclopropylmethoxy)-4-[6-[1-[(4-methoxyphenyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 167678921
4-[6-[1-[(4-methoxyphenyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]-6-propan-2-yloxypyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 167678920
tert-butyl N-[4-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-1-oxo-1,4-thiazinan-1-ylidene]carbamate
CID 166047400
6-(cyclopropylmethoxy)-4-[6-[1-[(6-ethyl-3-pyridinyl)imino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167598849
4-[6-[4-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 167708365
6-(2-hydroxy-2-methylpropoxy)-4-[6-(1-imino-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[1-(2-methylpropylimino)-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2-methylpropanal
CID 167546257
4-[6-[4-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 167708364
6-methyl-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 162725896
6-methyl-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 162725441
4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 174117085
4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 165021355
6-ethoxy-4-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167643625

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-4-[6-[1-(2-methylpropylimino)-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 6-(cyclopropylmethoxy)-4-[6-[1-(2-methylpropylimino)-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 166047423) is 6-(cyclopropylmethoxy)-4-[6-[1-(2-methylpropylimino)-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for 6-(cyclopropylmethoxy)-4-[6-[1-(2-methylpropylimino)-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 6-(cyclopropylmethoxy)-4-[6-[1-(2-methylpropylimino)-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is CC(C)CN=S1(=O)CCN(c2ccc(-c3nc(OCC4CC4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 6-(cyclopropylmethoxy)-4-[6-[1-(2-methylpropylimino)-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is QCSUWYQGLKOUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2S/c1-17(2)12-28-34(32)9-7-30(8-10-34)21-6-5-19(13-26-21)23-24-20(11-25)14-27-31(24)15-22(29-23)33-16-18-3-4-18/h5-6,13-15,17-18H,3-4,7-10,12,16H2,1-2H3.
What are the key properties of 6-(cyclopropylmethoxy)-4-[6-[1-(2-methylpropylimino)-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
6-(cyclopropylmethoxy)-4-[6-[1-(2-methylpropylimino)-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 479.61 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-4-[6-[1-(2-methylpropylimino)-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 166047423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).