N-methyl-3-(2-methylbut-1-enyl)-4-(1-methylsulfanylcyclopropyl)-6-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyridin-2-amine

C22H31N5OS — CID 155585654

IUPACN-methyl-3-(2-methylbut-1-enyl)-4-(1-methylsulfanylcyclopropyl)-6-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyridin-2-amine
SMILESCCC(C)=Cc1c(C2(SC)CC2)cc(N2CCOCC2)nc1N(C)c1ccn[nH]1
InChIInChI=1S/C22H31N5OS/c1-5-16(2)14-17-18(22(29-4)7-8-22)15-20(27-10-12-28-13-11-27)24-21(17)26(3)19-6-9-23-25-19/h6,9,14-15H,5,7-8,10-13H2,1-4H3,(H,23,25)
InChIKeyWRWFXGIRIDFHND-UHFFFAOYSA-N
MW413.59 g/mol
LogP4.57
Rot. Bonds7

About N-methyl-3-(2-methylbut-1-enyl)-4-(1-methylsulfanylcyclopropyl)-6-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyridin-2-amine

N-methyl-3-(2-methylbut-1-enyl)-4-(1-methylsulfanylcyclopropyl)-6-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyridin-2-amine (PubChem CID 155585654) has the molecular formula C22H31N5OS and a molecular weight of 413.59 g/mol. Its IUPAC name is N-methyl-3-(2-methylbut-1-enyl)-4-(1-methylsulfanylcyclopropyl)-6-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methylbut-1-enyl)-4-(1-methylsulfanylcyclopropyl)-6-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyridin-2-amine
PubChem CID155585654
Molecular FormulaC22H31N5OS
Molecular Weight413.59 g/mol
Exact Mass413.22
IUPAC NameN-methyl-3-(2-methylbut-1-enyl)-4-(1-methylsulfanylcyclopropyl)-6-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyridin-2-amine
SMILESCCC(C)=Cc1c(C2(SC)CC2)cc(N2CCOCC2)nc1N(C)c1ccn[nH]1
InChIInChI=1S/C22H31N5OS/c1-5-16(2)14-17-18(22(29-4)7-8-22)15-20(27-10-12-28-13-11-27)24-21(17)26(3)19-6-9-23-25-19/h6,9,14-15H,5,7-8,10-13H2,1-4H3,(H,23,25)
InChIKeyWRWFXGIRIDFHND-UHFFFAOYSA-N
XLogP4.57
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 156754152
4-[2-(3,4-dimethylphenyl)-6-(1-methylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine;ethane
CID 143741449
4-morpholin-4-yl-6-(1H-pyrazol-5-yl)pyrimidin-2-amine
CID 50982860
4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine
CID 143741738
1-[3-methanimidoyl-6-morpholin-4-yl-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclobutane-1-carbonitrile
CID 178002765
methyl 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate
CID 91564868
1-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide
CID 156754163
1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1-propylhydrazine
CID 134446629
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
N,N-dimethyl-6-morpholin-4-yl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 178015809
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol
CID 163354551

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylbut-1-enyl)-4-(1-methylsulfanylcyclopropyl)-6-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyridin-2-amine?
The IUPAC name of N-methyl-3-(2-methylbut-1-enyl)-4-(1-methylsulfanylcyclopropyl)-6-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyridin-2-amine (CID 155585654) is N-methyl-3-(2-methylbut-1-enyl)-4-(1-methylsulfanylcyclopropyl)-6-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-methyl-3-(2-methylbut-1-enyl)-4-(1-methylsulfanylcyclopropyl)-6-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-methyl-3-(2-methylbut-1-enyl)-4-(1-methylsulfanylcyclopropyl)-6-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyridin-2-amine is CCC(C)=Cc1c(C2(SC)CC2)cc(N2CCOCC2)nc1N(C)c1ccn[nH]1.
What is the InChIKey of N-methyl-3-(2-methylbut-1-enyl)-4-(1-methylsulfanylcyclopropyl)-6-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyridin-2-amine?
The InChIKey is WRWFXGIRIDFHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5OS/c1-5-16(2)14-17-18(22(29-4)7-8-22)15-20(27-10-12-28-13-11-27)24-21(17)26(3)19-6-9-23-25-19/h6,9,14-15H,5,7-8,10-13H2,1-4H3,(H,23,25).
What are the key properties of N-methyl-3-(2-methylbut-1-enyl)-4-(1-methylsulfanylcyclopropyl)-6-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyridin-2-amine?
N-methyl-3-(2-methylbut-1-enyl)-4-(1-methylsulfanylcyclopropyl)-6-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyridin-2-amine has a molecular weight of 413.59 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylbut-1-enyl)-4-(1-methylsulfanylcyclopropyl)-6-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 155585654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).