[6-(dimethylamino)-5-methylpyrazolo[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]methanone

C24H22FN7O2 — CID 169163378

IUPAC[6-(dimethylamino)-5-methylpyrazolo[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]methanone
SMILESCc1cc2c(C(=O)N3CCc4[nH]cnc4[C@H]3c3nc4cc(F)ccc4o3)cnn2cc1N(C)C
InChIInChI=1S/C24H22FN7O2/c1-13-8-18-15(10-28-32(18)11-19(13)30(2)3)24(33)31-7-6-16-21(27-12-26-16)22(31)23-29-17-9-14(25)4-5-20(17)34-23/h4-5,8-12,22H,6-7H2,1-3H3,(H,26,27)/t22-/m0/s1
InChIKeySDTBIKIQJMAOSJ-QFIPXVFZSA-N
MW459.49 g/mol
LogP3.50
Rot. Bonds3

About [6-(dimethylamino)-5-methylpyrazolo[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]methanone

[6-(dimethylamino)-5-methylpyrazolo[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]methanone (PubChem CID 169163378) has the molecular formula C24H22FN7O2 and a molecular weight of 459.49 g/mol. Its IUPAC name is [6-(dimethylamino)-5-methylpyrazolo[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]methanone.

Molecular Properties

Compound Name[6-(dimethylamino)-5-methylpyrazolo[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]methanone
PubChem CID169163378
Molecular FormulaC24H22FN7O2
Molecular Weight459.49 g/mol
Exact Mass459.18
IUPAC Name[6-(dimethylamino)-5-methylpyrazolo[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]methanone
SMILESCc1cc2c(C(=O)N3CCc4[nH]cnc4[C@H]3c3nc4cc(F)ccc4o3)cnn2cc1N(C)C
InChIInChI=1S/C24H22FN7O2/c1-13-8-18-15(10-28-32(18)11-19(13)30(2)3)24(33)31-7-6-16-21(27-12-26-16)22(31)23-29-17-9-14(25)4-5-20(17)34-23/h4-5,8-12,22H,6-7H2,1-3H3,(H,26,27)/t22-/m0/s1
InChIKeySDTBIKIQJMAOSJ-QFIPXVFZSA-N
XLogP3.50
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-(dimethylamino)-5-methylpyrazolo[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]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-5-methylpyrazolo[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]methanone?
The IUPAC name of [6-(dimethylamino)-5-methylpyrazolo[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]methanone (CID 169163378) is [6-(dimethylamino)-5-methylpyrazolo[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]methanone.
What is the SMILES notation for [6-(dimethylamino)-5-methylpyrazolo[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]methanone?
The canonical SMILES for [6-(dimethylamino)-5-methylpyrazolo[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]methanone is Cc1cc2c(C(=O)N3CCc4[nH]cnc4[C@H]3c3nc4cc(F)ccc4o3)cnn2cc1N(C)C.
What is the InChIKey of [6-(dimethylamino)-5-methylpyrazolo[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]methanone?
The InChIKey is SDTBIKIQJMAOSJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22FN7O2/c1-13-8-18-15(10-28-32(18)11-19(13)30(2)3)24(33)31-7-6-16-21(27-12-26-16)22(31)23-29-17-9-14(25)4-5-20(17)34-23/h4-5,8-12,22H,6-7H2,1-3H3,(H,26,27)/t22-/m0/s1.
What are the key properties of [6-(dimethylamino)-5-methylpyrazolo[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]methanone?
[6-(dimethylamino)-5-methylpyrazolo[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]methanone has a molecular weight of 459.49 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-5-methylpyrazolo[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]methanone is sourced from PubChem (CID 169163378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).