(4-methoxyphenyl)-[2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-yl]methanol

C26H25N7O2 — CID 177070285

IUPAC(4-methoxyphenyl)-[2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-yl]methanol
SMILESCOc1ccc(C(O)c2cnc(N3CCc4[nH]cnc4[C@H]3c3cc4c(C)cccn4n3)nc2)cc1
InChIInChI=1S/C26H25N7O2/c1-16-4-3-10-33-22(16)12-21(31-33)24-23-20(29-15-30-23)9-11-32(24)26-27-13-18(14-28-26)25(34)17-5-7-19(35-2)8-6-17/h3-8,10,12-15,24-25,34H,9,11H2,1-2H3,(H,29,30)/t24-,25?/m1/s1
InChIKeyIOVYTGAILKXFBW-IKOFQBKESA-N
MW467.53 g/mol
LogP3.40
Rot. Bonds5

About (4-methoxyphenyl)-[2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-yl]methanol

(4-methoxyphenyl)-[2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-yl]methanol (PubChem CID 177070285) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-yl]methanol
PubChem CID177070285
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name(4-methoxyphenyl)-[2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-yl]methanol
SMILESCOc1ccc(C(O)c2cnc(N3CCc4[nH]cnc4[C@H]3c3cc4c(C)cccn4n3)nc2)cc1
InChIInChI=1S/C26H25N7O2/c1-16-4-3-10-33-22(16)12-21(31-33)24-23-20(29-15-30-23)9-11-32(24)26-27-13-18(14-28-26)25(34)17-5-7-19(35-2)8-6-17/h3-8,10,12-15,24-25,34H,9,11H2,1-2H3,(H,29,30)/t24-,25?/m1/s1
InChIKeyIOVYTGAILKXFBW-IKOFQBKESA-N
XLogP3.40
TPSA104.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4-methoxyphenyl)-[2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-yl]methanol?
The IUPAC name of (4-methoxyphenyl)-[2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-yl]methanol (CID 177070285) is (4-methoxyphenyl)-[2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-yl]methanol.
What is the SMILES notation for (4-methoxyphenyl)-[2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-yl]methanol?
The canonical SMILES for (4-methoxyphenyl)-[2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-yl]methanol is COc1ccc(C(O)c2cnc(N3CCc4[nH]cnc4[C@H]3c3cc4c(C)cccn4n3)nc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-yl]methanol?
The InChIKey is IOVYTGAILKXFBW-IKOFQBKESA-N. The full InChI is InChI=1S/C26H25N7O2/c1-16-4-3-10-33-22(16)12-21(31-33)24-23-20(29-15-30-23)9-11-32(24)26-27-13-18(14-28-26)25(34)17-5-7-19(35-2)8-6-17/h3-8,10,12-15,24-25,34H,9,11H2,1-2H3,(H,29,30)/t24-,25?/m1/s1.
What are the key properties of (4-methoxyphenyl)-[2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-yl]methanol?
(4-methoxyphenyl)-[2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-yl]methanol has a molecular weight of 467.53 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-yl]methanol is sourced from PubChem (CID 177070285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).