[6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol

C22H21F2N5O — CID 118663658

IUPAC[6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
SMILESCC(F)(F)C[C@H](N)c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C22H21F2N5O/c1-22(23,24)11-17(25)19-6-3-5-18(28-19)14-8-9-15-12-26-29(20(15)10-14)21-7-2-4-16(13-30)27-21/h2-10,12,17,30H,11,13,25H2,1H3/t17-/m0/s1
InChIKeyDCMSHCODURIKJL-KRWDZBQOSA-N
MW409.44 g/mol
LogP4.02
Rot. Bonds6

About [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118663658) has the molecular formula C22H21F2N5O and a molecular weight of 409.44 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118663658
Molecular FormulaC22H21F2N5O
Molecular Weight409.44 g/mol
Exact Mass409.17
IUPAC Name[6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
SMILESCC(F)(F)C[C@H](N)c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C22H21F2N5O/c1-22(23,24)11-17(25)19-6-3-5-18(28-19)14-8-9-15-12-26-29(20(15)10-14)21-7-2-4-16(13-30)27-21/h2-10,12,17,30H,11,13,25H2,1H3/t17-/m0/s1
InChIKeyDCMSHCODURIKJL-KRWDZBQOSA-N
XLogP4.02
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol with MolForge

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Related Compounds

3-[6-[6-(6-Methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-ol
CID 72714951
1-[3-(2-fluoro-4-pyridinyl)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118168984
1-[(1S)-2-(difluoromethoxy)-1-phenylethyl]-3-[4-(hydroxymethyl)-3-(2-methylpyridin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118169008
[4-[4-(Pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol
CID 118711860
US10246456, Example 270
CID 118663562
US10246456, Example 510
CID 118663577
US10246456, Example 209
CID 118663605
US10246456, Example 564
CID 118663642
US10246456, Example 579
CID 118663645
US10246456, Example 111
CID 118663752
US10577367, Example 452
CID 118663769
US10246456, Example 80
CID 118663775

Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol (CID 118663658) is [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol is CC(F)(F)C[C@H](N)c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is DCMSHCODURIKJL-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H21F2N5O/c1-22(23,24)11-17(25)19-6-3-5-18(28-19)14-8-9-15-12-26-29(20(15)10-14)21-7-2-4-16(13-30)27-21/h2-10,12,17,30H,11,13,25H2,1H3/t17-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 409.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118663658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).