cyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile

C23H29N7O — CID 142563199

IUPACcyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile
SMILESC#N.Cn1cc(-c2cc3c(N4CCN(C(=O)C5CCCCC5)CC4)ccnc3[nH]2)cn1
InChIInChI=1S/C22H28N6O.CHN/c1-26-15-17(14-24-26)19-13-18-20(7-8-23-21(18)25-19)27-9-11-28(12-10-27)22(29)16-5-3-2-4-6-16;1-2/h7-8,13-16H,2-6,9-12H2,1H3,(H,23,25);1H
InChIKeyVWKWHYMRBRVGQT-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.33
Rot. Bonds3

About cyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile

cyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile (PubChem CID 142563199) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is cyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile.

Molecular Properties

Compound Namecyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile
PubChem CID142563199
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Namecyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile
SMILESC#N.Cn1cc(-c2cc3c(N4CCN(C(=O)C5CCCCC5)CC4)ccnc3[nH]2)cn1
InChIInChI=1S/C22H28N6O.CHN/c1-26-15-17(14-24-26)19-13-18-20(7-8-23-21(18)25-19)27-9-11-28(12-10-27)22(29)16-5-3-2-4-6-16;1-2/h7-8,13-16H,2-6,9-12H2,1H3,(H,23,25);1H
InChIKeyVWKWHYMRBRVGQT-UHFFFAOYSA-N
XLogP3.33
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138570202
cyclobutylmethyl 4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138570026
[4-[2-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclopropylmethanone
CID 138569911
cyclopropyl-[4-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
CID 138569970
1-[4-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]propan-1-one
CID 138570218
cyclopropyl-[4-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
CID 138570476
[4-[2-(4-cyclobutyloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclopropylmethanone
CID 138569901
cyclopropyl-[4-[2-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
CID 138569894
cyclopropyl-[4-[2-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
CID 142563291
[4-[2-(1,5-dimethylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-(4-methylcyclohexyl)methanone
CID 166959265
cyclopropyl-[4-[2-[4-[2-(2,2-difluoroethylamino)ethylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
CID 138570269
cyclopropyl-[4-[2-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
CID 138570087

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile?
The IUPAC name of cyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile (CID 142563199) is cyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile.
What is the SMILES notation for cyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile?
The canonical SMILES for cyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile is C#N.Cn1cc(-c2cc3c(N4CCN(C(=O)C5CCCCC5)CC4)ccnc3[nH]2)cn1.
What is the InChIKey of cyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile?
The InChIKey is VWKWHYMRBRVGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O.CHN/c1-26-15-17(14-24-26)19-13-18-20(7-8-23-21(18)25-19)27-9-11-28(12-10-27)22(29)16-5-3-2-4-6-16;1-2/h7-8,13-16H,2-6,9-12H2,1H3,(H,23,25);1H.
What are the key properties of cyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile?
cyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile has a molecular weight of 419.53 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile is sourced from PubChem (CID 142563199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).