[6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanol

C25H26FN7O2 — CID 169163499

IUPAC[6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanol
SMILESCN(C)CCc1ccc2c(C(O)N3CCc4[nH]cnc4[C@H]3c3nc4cc(F)ccc4o3)cnn2c1
InChIInChI=1S/C25H26FN7O2/c1-31(2)9-7-15-3-5-20-17(12-29-33(20)13-15)25(34)32-10-8-18-22(28-14-27-18)23(32)24-30-19-11-16(26)4-6-21(19)35-24/h3-6,11-14,23,25,34H,7-10H2,1-2H3,(H,27,28)/t23-,25?/m0/s1
InChIKeyHEHYYNPMMSTHAG-LFQPHHBNSA-N
MW475.53 g/mol
LogP3.08
Rot. Bonds6

About [6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanol

[6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanol (PubChem CID 169163499) has the molecular formula C25H26FN7O2 and a molecular weight of 475.53 g/mol. Its IUPAC name is [6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanol
PubChem CID169163499
Molecular FormulaC25H26FN7O2
Molecular Weight475.53 g/mol
Exact Mass475.21
IUPAC Name[6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanol
SMILESCN(C)CCc1ccc2c(C(O)N3CCc4[nH]cnc4[C@H]3c3nc4cc(F)ccc4o3)cnn2c1
InChIInChI=1S/C25H26FN7O2/c1-31(2)9-7-15-3-5-20-17(12-29-33(20)13-15)25(34)32-10-8-18-22(28-14-27-18)23(32)24-30-19-11-16(26)4-6-21(19)35-24/h3-6,11-14,23,25,34H,7-10H2,1-2H3,(H,27,28)/t23-,25?/m0/s1
InChIKeyHEHYYNPMMSTHAG-LFQPHHBNSA-N
XLogP3.08
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanol?
The IUPAC name of [6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanol (CID 169163499) is [6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanol.
What is the SMILES notation for [6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanol?
The canonical SMILES for [6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanol is CN(C)CCc1ccc2c(C(O)N3CCc4[nH]cnc4[C@H]3c3nc4cc(F)ccc4o3)cnn2c1.
What is the InChIKey of [6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanol?
The InChIKey is HEHYYNPMMSTHAG-LFQPHHBNSA-N. The full InChI is InChI=1S/C25H26FN7O2/c1-31(2)9-7-15-3-5-20-17(12-29-33(20)13-15)25(34)32-10-8-18-22(28-14-27-18)23(32)24-30-19-11-16(26)4-6-21(19)35-24/h3-6,11-14,23,25,34H,7-10H2,1-2H3,(H,27,28)/t23-,25?/m0/s1.
What are the key properties of [6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanol?
[6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanol has a molecular weight of 475.53 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanol is sourced from PubChem (CID 169163499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).