1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one

C22H24N6OS — CID 155114690

IUPAC1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one
SMILESCSc1cnc(N[C@@H]2C[C@@H](Nc3ccc(-n4ccccc4=O)cn3)C3C(C)C32)nc1
InChIInChI=1S/C22H24N6OS/c1-13-20-16(9-17(21(13)20)27-22-24-11-15(30-2)12-25-22)26-18-7-6-14(10-23-18)28-8-4-3-5-19(28)29/h3-8,10-13,16-17,20-21H,9H2,1-2H3,(H,23,26)(H,24,25,27)/t13?,16-,17-,20?,21?/m1/s1
InChIKeyKVZJPWAEUNIWKP-DZFJZVKDSA-N
MW420.54 g/mol
LogP3.29
Rot. Bonds6

About 1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one

1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one (PubChem CID 155114690) has the molecular formula C22H24N6OS and a molecular weight of 420.54 g/mol. Its IUPAC name is 1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one
PubChem CID155114690
Molecular FormulaC22H24N6OS
Molecular Weight420.54 g/mol
Exact Mass420.17
IUPAC Name1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one
SMILESCSc1cnc(N[C@@H]2C[C@@H](Nc3ccc(-n4ccccc4=O)cn3)C3C(C)C32)nc1
InChIInChI=1S/C22H24N6OS/c1-13-20-16(9-17(21(13)20)27-22-24-11-15(30-2)12-25-22)26-18-7-6-14(10-23-18)28-8-4-3-5-19(28)29/h3-8,10-13,16-17,20-21H,9H2,1-2H3,(H,23,26)(H,24,25,27)/t13?,16-,17-,20?,21?/m1/s1
InChIKeyKVZJPWAEUNIWKP-DZFJZVKDSA-N
XLogP3.29
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[6-[[(1S,2R,4R,5R,6R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one
CID 155114696
1-[2-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]pyrimidin-5-yl]pyridin-2-one
CID 167167371
1-[4-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]phenyl]pyridin-2-one
CID 154653858
1-[2-[[(1S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-4-pyridinyl]pyridin-2-one
CID 154653598
4-[2-hydroxy-2-[2-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]pyrimidin-5-yl]ethyl]-2-[6-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)amino]cyclopentyl]amino]-3-pyridinyl]pyridazin-3-one
CID 155003173
1-[6-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one
CID 157399978
1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one
CID 160600124
1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-4-(3H-1,2,4-triazol-5-yl)pyridin-2-one
CID 161364571
1-[6-[(1S,3R)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]oxy-3-pyridinyl]pyridin-2-one
CID 159101591
1-[6-[[(1S,3S)-3-[(5-methylpyrrolo[2,3-b]pyrazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171100697
lithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate
CID 171756462
1-[6-[[(1S,3S)-3-[(5-cyclopropyl-1,2,4-thiadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171512409

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one?
The IUPAC name of 1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one (CID 155114690) is 1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one is CSc1cnc(N[C@@H]2C[C@@H](Nc3ccc(-n4ccccc4=O)cn3)C3C(C)C32)nc1.
What is the InChIKey of 1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one?
The InChIKey is KVZJPWAEUNIWKP-DZFJZVKDSA-N. The full InChI is InChI=1S/C22H24N6OS/c1-13-20-16(9-17(21(13)20)27-22-24-11-15(30-2)12-25-22)26-18-7-6-14(10-23-18)28-8-4-3-5-19(28)29/h3-8,10-13,16-17,20-21H,9H2,1-2H3,(H,23,26)(H,24,25,27)/t13?,16-,17-,20?,21?/m1/s1.
What are the key properties of 1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one?
1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one has a molecular weight of 420.54 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 155114690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).