6-[[(2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol

C17H21FN6O — CID 137061269

IUPAC6-[[(2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol
SMILESCn1cc(-c2nc(NC3CCCC[C@@H]3N)c(F)c3c[nH]c(O)c23)cn1
InChIInChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6-8,11-12,20,22,25H,2-5,19H2,1H3/t11-,12?/m0/s1
InChIKeyJHXFDSRHJRKBTE-PXYINDEMSA-N
MW344.39 g/mol
LogP2.49
Rot. Bonds3

About 6-[[(2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol

6-[[(2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol (PubChem CID 137061269) has the molecular formula C17H21FN6O and a molecular weight of 344.39 g/mol. Its IUPAC name is 6-[[(2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol.

Molecular Properties

Compound Name6-[[(2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol
PubChem CID137061269
Molecular FormulaC17H21FN6O
Molecular Weight344.39 g/mol
Exact Mass344.18
IUPAC Name6-[[(2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol
SMILESCn1cc(-c2nc(NC3CCCC[C@@H]3N)c(F)c3c[nH]c(O)c23)cn1
InChIInChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6-8,11-12,20,22,25H,2-5,19H2,1H3/t11-,12?/m0/s1
InChIKeyJHXFDSRHJRKBTE-PXYINDEMSA-N
XLogP2.49
TPSA104.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol
CID 118930200
6-[(2-aminocyclohexyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol
CID 123772144
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol
CID 132180460
6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol
CID 134532750
(2R)-2-[[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-3-hydroxy-2H-pyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
CID 137029877
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-thiophen-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137030211
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[1-(4-fluorophenyl)pyrazol-4-yl]-6H-pyrrolo[3,4-d]pyrimidin-5-ol
CID 137030825
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137030976
6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137032570
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(4-fluoro-3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137036653
6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137037581
2-[(2-aminocyclohexyl)amino]-4-[1-(4-fluorophenyl)pyrazol-4-yl]-6H-pyrrolo[3,4-d]pyrimidin-5-ol
CID 137045070

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol?
The IUPAC name of 6-[[(2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol (CID 137061269) is 6-[[(2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol.
What is the SMILES notation for 6-[[(2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol?
The canonical SMILES for 6-[[(2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol is Cn1cc(-c2nc(NC3CCCC[C@@H]3N)c(F)c3c[nH]c(O)c23)cn1.
What is the InChIKey of 6-[[(2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol?
The InChIKey is JHXFDSRHJRKBTE-PXYINDEMSA-N. The full InChI is InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6-8,11-12,20,22,25H,2-5,19H2,1H3/t11-,12?/m0/s1.
What are the key properties of 6-[[(2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol?
6-[[(2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol has a molecular weight of 344.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol is sourced from PubChem (CID 137061269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).