8-[4-[(2S)-2-amino-3-morpholin-4-yl-3-oxopropyl]phenoxy]-2-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide

C24H27N5O4S — CID 70034043

IUPAC8-[4-[(2S)-2-amino-3-morpholin-4-yl-3-oxopropyl]phenoxy]-2-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide
SMILESCn1cc2c(n1)-c1c(Oc3ccc(C[C@H](N)C(=O)N4CCOCC4)cc3)sc(C(N)=O)c1CC2
InChIInChI=1S/C24H27N5O4S/c1-28-13-15-4-7-17-19(20(15)27-28)24(34-21(17)22(26)30)33-16-5-2-14(3-6-16)12-18(25)23(31)29-8-10-32-11-9-29/h2-3,5-6,13,18H,4,7-12,25H2,1H3,(H2,26,30)/t18-/m0/s1
InChIKeyCYIJRPCQXMMNKB-SFHVURJKSA-N
MW481.58 g/mol
LogP1.87
Rot. Bonds6

About 8-[4-[(2S)-2-amino-3-morpholin-4-yl-3-oxopropyl]phenoxy]-2-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide

8-[4-[(2S)-2-amino-3-morpholin-4-yl-3-oxopropyl]phenoxy]-2-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide (PubChem CID 70034043) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 8-[4-[(2S)-2-amino-3-morpholin-4-yl-3-oxopropyl]phenoxy]-2-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide.

Molecular Properties

Compound Name8-[4-[(2S)-2-amino-3-morpholin-4-yl-3-oxopropyl]phenoxy]-2-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide
PubChem CID70034043
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name8-[4-[(2S)-2-amino-3-morpholin-4-yl-3-oxopropyl]phenoxy]-2-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide
SMILESCn1cc2c(n1)-c1c(Oc3ccc(C[C@H](N)C(=O)N4CCOCC4)cc3)sc(C(N)=O)c1CC2
InChIInChI=1S/C24H27N5O4S/c1-28-13-15-4-7-17-19(20(15)27-28)24(34-21(17)22(26)30)33-16-5-2-14(3-6-16)12-18(25)23(31)29-8-10-32-11-9-29/h2-3,5-6,13,18H,4,7-12,25H2,1H3,(H2,26,30)/t18-/m0/s1
InChIKeyCYIJRPCQXMMNKB-SFHVURJKSA-N
XLogP1.87
TPSA125.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(2-amino-3-morpholin-4-yl-3-oxopropyl)phenoxy]benzamide
CID 25007040
(2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 54322087
3-[4-[4-[2-amino-3-(4-methylpiperazin-1-yl)-3-oxopropyl]phenoxy]phenyl]propanamide
CID 24991348
(2S)-2-amino-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904155
2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295495
(2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
CID 146352445
(2S)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
CID 141006168
3-[4-[4-(2-amino-3-oxo-3-piperazin-1-ylpropyl)phenoxy]phenyl]propanoic acid
CID 24991344
2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone
CID 56784565
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
1-methyl-8-[(5-morpholin-4-yl-3-pyridinyl)oxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid
CID 59089044
(2S)-2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22689945

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(2S)-2-amino-3-morpholin-4-yl-3-oxopropyl]phenoxy]-2-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide?
The IUPAC name of 8-[4-[(2S)-2-amino-3-morpholin-4-yl-3-oxopropyl]phenoxy]-2-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide (CID 70034043) is 8-[4-[(2S)-2-amino-3-morpholin-4-yl-3-oxopropyl]phenoxy]-2-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide.
What is the SMILES notation for 8-[4-[(2S)-2-amino-3-morpholin-4-yl-3-oxopropyl]phenoxy]-2-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide?
The canonical SMILES for 8-[4-[(2S)-2-amino-3-morpholin-4-yl-3-oxopropyl]phenoxy]-2-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide is Cn1cc2c(n1)-c1c(Oc3ccc(C[C@H](N)C(=O)N4CCOCC4)cc3)sc(C(N)=O)c1CC2.
What is the InChIKey of 8-[4-[(2S)-2-amino-3-morpholin-4-yl-3-oxopropyl]phenoxy]-2-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide?
The InChIKey is CYIJRPCQXMMNKB-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-28-13-15-4-7-17-19(20(15)27-28)24(34-21(17)22(26)30)33-16-5-2-14(3-6-16)12-18(25)23(31)29-8-10-32-11-9-29/h2-3,5-6,13,18H,4,7-12,25H2,1H3,(H2,26,30)/t18-/m0/s1.
What are the key properties of 8-[4-[(2S)-2-amino-3-morpholin-4-yl-3-oxopropyl]phenoxy]-2-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide?
8-[4-[(2S)-2-amino-3-morpholin-4-yl-3-oxopropyl]phenoxy]-2-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(2S)-2-amino-3-morpholin-4-yl-3-oxopropyl]phenoxy]-2-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide is sourced from PubChem (CID 70034043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).