(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C22H24ClN7S — CID 155164050

IUPAC(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1ccc2c(c1)CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)nn3)CC1)[C@H]2N
InChIInChI=1S/C22H24ClN7S/c1-13-2-3-15-14(10-13)11-22(19(15)24)5-8-30(9-6-22)21-27-12-17(28-29-21)31-16-4-7-26-20(25)18(16)23/h2-4,7,10,12,19H,5-6,8-9,11,24H2,1H3,(H2,25,26)/t19-/m0/s1
InChIKeyNFVBLADCSFFWAZ-IBGZPJMESA-N
MW454.00 g/mol
LogP3.80
Rot. Bonds3

About (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 155164050) has the molecular formula C22H24ClN7S and a molecular weight of 454.00 g/mol. Its IUPAC name is (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID155164050
Molecular FormulaC22H24ClN7S
Molecular Weight454.00 g/mol
Exact Mass453.15
IUPAC Name(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1ccc2c(c1)CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)nn3)CC1)[C@H]2N
InChIInChI=1S/C22H24ClN7S/c1-13-2-3-15-14(10-13)11-22(19(15)24)5-8-30(9-6-22)21-27-12-17(28-29-21)31-16-4-7-26-20(25)18(16)23/h2-4,7,10,12,19H,5-6,8-9,11,24H2,1H3,(H2,25,26)/t19-/m0/s1
InChIKeyNFVBLADCSFFWAZ-IBGZPJMESA-N
XLogP3.80
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.00
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

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Related Compounds

(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155164259
3-[(3S)-3-amino-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]-N-methylprop-2-ynamide
CID 171454690
1-[4-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1,2,4-triazin-6-yl]sulfanyl]-3-chloro-2-pyridinyl]piperidin-4-ol
CID 155187133
(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 146554238
(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 156901251
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5,6-dimethoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxamide
CID 155035659
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile
CID 154662889
(1S,5R)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 155164111
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one
CID 163362567
1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-2,2,2-trifluoroethanol
CID 154662904
(5S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 146485346
(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide
CID 142434126

Frequently Asked Questions

What is the IUPAC name of (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 155164050) is (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Cc1ccc2c(c1)CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)nn3)CC1)[C@H]2N.
What is the InChIKey of (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is NFVBLADCSFFWAZ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24ClN7S/c1-13-2-3-15-14(10-13)11-22(19(15)24)5-8-30(9-6-22)21-27-12-17(28-29-21)31-16-4-7-26-20(25)18(16)23/h2-4,7,10,12,19H,5-6,8-9,11,24H2,1H3,(H2,25,26)/t19-/m0/s1.
What are the key properties of (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 454.00 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 155164050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).