1-[3-methanimidoyl-6-morpholin-4-yl-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclobutane-1-carbonitrile

C18H21N7O — CID 178002765

IUPAC1-[3-methanimidoyl-6-morpholin-4-yl-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclobutane-1-carbonitrile
SMILES[H]/N=C/c1c(C2(C#N)CCC2)cc(N2CCOCC2)nc1Nc1ccn[nH]1
InChIInChI=1S/C18H21N7O/c19-11-13-14(18(12-20)3-1-4-18)10-16(25-6-8-26-9-7-25)23-17(13)22-15-2-5-21-24-15/h2,5,10-11,19H,1,3-4,6-9H2,(H2,21,22,23,24)/b19-11+
InChIKeyUWAXLJXJBZGELF-YBFXNURJSA-N
MW351.41 g/mol
LogP2.33
Rot. Bonds5

About 1-[3-methanimidoyl-6-morpholin-4-yl-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclobutane-1-carbonitrile

1-[3-methanimidoyl-6-morpholin-4-yl-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclobutane-1-carbonitrile (PubChem CID 178002765) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[3-methanimidoyl-6-morpholin-4-yl-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-methanimidoyl-6-morpholin-4-yl-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclobutane-1-carbonitrile
PubChem CID178002765
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name1-[3-methanimidoyl-6-morpholin-4-yl-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclobutane-1-carbonitrile
SMILES[H]/N=C/c1c(C2(C#N)CCC2)cc(N2CCOCC2)nc1Nc1ccn[nH]1
InChIInChI=1S/C18H21N7O/c19-11-13-14(18(12-20)3-1-4-18)10-16(25-6-8-26-9-7-25)23-17(13)22-15-2-5-21-24-15/h2,5,10-11,19H,1,3-4,6-9H2,(H2,21,22,23,24)/b19-11+
InChIKeyUWAXLJXJBZGELF-YBFXNURJSA-N
XLogP2.33
TPSA113.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-4-[3-methanimidoyl-6-(3-methylmorpholin-4-yl)-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]piperidin-4-ol
CID 165400517
2-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]-2-methylpropanenitrile
CID 155585674
4-ethynyl-1-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclohex-3-en-1-ol
CID 176647554
methanethiol;2-[3-methanimidoyl-6-(3-methylmorpholin-4-yl)-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile
CID 165400505
(Z)-3-amino-N'-[4-(4-cyanooxan-4-yl)-3-methanimidoyl-6-morpholin-4-yl-2-pyridinyl]prop-2-enimidamide
CID 155585727
1-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]-4-[2-(1-methylpyrazol-3-yl)ethynyl]cyclohexan-1-ol
CID 176647401
4-[3-(dimethylamino)prop-1-ynyl]-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 176647369
4-[2-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]ethynyl]-1,1-dioxothian-4-ol
CID 176647796
methane;3-methanimidoyl-6-(3-methylmorpholin-4-yl)-4-[(5S)-8-oxabicyclo[3.2.1]octan-3-yl]-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 166149944
1-(2,6-diazaspiro[3.3]heptan-2-yl)-4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]but-3-yne-1,2-dione
CID 176647574
1-(3-hydroxyazetidin-1-yl)-3-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]prop-2-yn-1-one
CID 176647801
1,1-difluoropropane;4-[3-methanimidoyl-6-(3-methylmorpholin-4-yl)-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]heptan-4-ol
CID 166527556

Frequently Asked Questions

What is the IUPAC name of 1-[3-methanimidoyl-6-morpholin-4-yl-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[3-methanimidoyl-6-morpholin-4-yl-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclobutane-1-carbonitrile (CID 178002765) is 1-[3-methanimidoyl-6-morpholin-4-yl-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[3-methanimidoyl-6-morpholin-4-yl-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[3-methanimidoyl-6-morpholin-4-yl-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclobutane-1-carbonitrile is [H]/N=C/c1c(C2(C#N)CCC2)cc(N2CCOCC2)nc1Nc1ccn[nH]1.
What is the InChIKey of 1-[3-methanimidoyl-6-morpholin-4-yl-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclobutane-1-carbonitrile?
The InChIKey is UWAXLJXJBZGELF-YBFXNURJSA-N. The full InChI is InChI=1S/C18H21N7O/c19-11-13-14(18(12-20)3-1-4-18)10-16(25-6-8-26-9-7-25)23-17(13)22-15-2-5-21-24-15/h2,5,10-11,19H,1,3-4,6-9H2,(H2,21,22,23,24)/b19-11+.
What are the key properties of 1-[3-methanimidoyl-6-morpholin-4-yl-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclobutane-1-carbonitrile?
1-[3-methanimidoyl-6-morpholin-4-yl-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclobutane-1-carbonitrile has a molecular weight of 351.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methanimidoyl-6-morpholin-4-yl-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 178002765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).