6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol

C19H24FN5O2 — CID 137128302

IUPAC6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol
SMILESCCOC[C@H](N)CNc1nc(Nc2cccc(C)c2)c2c(O)[nH]cc2c1F
InChIInChI=1S/C19H24FN5O2/c1-3-27-10-12(21)8-22-18-16(20)14-9-23-19(26)15(14)17(25-18)24-13-6-4-5-11(2)7-13/h4-7,9,12,22-23,26H,3,8,10,21H2,1-2H3,(H,24,25)/t12-/m1/s1
InChIKeyCZBMQGZWXIKIAQ-GFCCVEGCSA-N
MW373.43 g/mol
LogP3.24
Rot. Bonds8

About 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol

6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol (PubChem CID 137128302) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol.

Molecular Properties

Compound Name6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol
PubChem CID137128302
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol
SMILESCCOC[C@H](N)CNc1nc(Nc2cccc(C)c2)c2c(O)[nH]cc2c1F
InChIInChI=1S/C19H24FN5O2/c1-3-27-10-12(21)8-22-18-16(20)14-9-23-19(26)15(14)17(25-18)24-13-6-4-5-11(2)7-13/h4-7,9,12,22-23,26H,3,8,10,21H2,1-2H3,(H,24,25)/t12-/m1/s1
InChIKeyCZBMQGZWXIKIAQ-GFCCVEGCSA-N
XLogP3.24
TPSA108.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-amino-3-methoxypropyl)amino]-7-fluoro-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol
CID 123834719
5-[[2-fluoro-5-[(6-hydroxy-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methylideneamino]phenyl]methyl-propan-2-ylamino]pentanoic acid
CID 136124790
2-(4-Tert-butylphenyl)-4-[(4-fluorophenyl)methylamino]pyrrolo[3,4-c]pyridin-3-ol
CID 136650084
2-(2,6-difluorophenyl)-4-(4-ethylanilino)-6H-pyrrolo[3,4-d]pyrimidin-5-ol
CID 137019000
2-(2,6-difluorophenyl)-4-[(5-fluoro-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137023164
4-[[5-[tert-butyl(methyl)amino]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137028808
2-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137030175
4-[[5-[(tert-butylamino)-hydroxymethyl]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137030187
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137030976
3-fluoro-2-[5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-2-yl]benzonitrile
CID 137031083
2-(2,6-difluorophenyl)-5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridine-3-carbonitrile
CID 137031950
4-[[5-(tert-butylamino)-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137032065

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol?
The IUPAC name of 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol (CID 137128302) is 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol.
What is the SMILES notation for 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol?
The canonical SMILES for 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol is CCOC[C@H](N)CNc1nc(Nc2cccc(C)c2)c2c(O)[nH]cc2c1F.
What is the InChIKey of 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol?
The InChIKey is CZBMQGZWXIKIAQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-3-27-10-12(21)8-22-18-16(20)14-9-23-19(26)15(14)17(25-18)24-13-6-4-5-11(2)7-13/h4-7,9,12,22-23,26H,3,8,10,21H2,1-2H3,(H,24,25)/t12-/m1/s1.
What are the key properties of 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol?
6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol has a molecular weight of 373.43 g/mol, XLogP of 3.24, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol is sourced from PubChem (CID 137128302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).