4-[6-[4-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C24H29N7O2S — CID 167708364

IUPAC4-[6-[4-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESC=S(C)(C)=NC1CCN(c2ccc(-c3nc(OCC4(O)CC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C24H29N7O2S/c1-34(2,3)29-19-6-10-30(11-7-19)20-5-4-17(13-26-20)22-23-18(12-25)14-27-31(23)15-21(28-22)33-16-24(32)8-9-24/h4-5,13-15,19,32H,1,6-11,16H2,2-3H3
InChIKeyMQAXAYDSBSGGAT-UHFFFAOYSA-N
MW479.61 g/mol
LogP2.56
Rot. Bonds6

About 4-[6-[4-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile

4-[6-[4-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 167708364) has the molecular formula C24H29N7O2S and a molecular weight of 479.61 g/mol. Its IUPAC name is 4-[6-[4-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID167708364
Molecular FormulaC24H29N7O2S
Molecular Weight479.61 g/mol
Exact Mass479.21
IUPAC Name4-[6-[4-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESC=S(C)(C)=NC1CCN(c2ccc(-c3nc(OCC4(O)CC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C24H29N7O2S/c1-34(2,3)29-19-6-10-30(11-7-19)20-5-4-17(13-26-20)22-23-18(12-25)14-27-31(23)15-21(28-22)33-16-24(32)8-9-24/h4-5,13-15,19,32H,1,6-11,16H2,2-3H3
InChIKeyMQAXAYDSBSGGAT-UHFFFAOYSA-N
XLogP2.56
TPSA111.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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
4-[6-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 167669206
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
4-[6-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 156571566
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-[(4-methoxyphenyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 167678921
6-methyl-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 162725441
6-(1-methylpyrazol-4-yl)-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 135242009
4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 174117085
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
6-methyl-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 162725896
1-[5-(3-cyano-6-methylpyrazolo[1,5-a]pyrazin-4-yl)-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
CID 162726130

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 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) is 4-[6-[4-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile is C=S(C)(C)=NC1CCN(c2ccc(-c3nc(OCC4(O)CC4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 4-[6-[4-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is MQAXAYDSBSGGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2S/c1-34(2,3)29-19-6-10-30(11-7-19)20-5-4-17(13-26-20)22-23-18(12-25)14-27-31(23)15-21(28-22)33-16-24(32)8-9-24/h4-5,13-15,19,32H,1,6-11,16H2,2-3H3.
What are the key properties of 4-[6-[4-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
4-[6-[4-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 479.61 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 167708364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).