(3R)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol

C23H23N7O — CID 162662807

IUPAC(3R)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCn1ccc2c(-c3nc4nccc(-n5cc(CN6CC[C@@H](O)C6)cn5)c4[nH]3)cccc21
InChIInChI=1S/C23H23N7O/c1-28-9-7-17-18(3-2-4-19(17)28)22-26-21-20(5-8-24-23(21)27-22)30-13-15(11-25-30)12-29-10-6-16(31)14-29/h2-5,7-9,11,13,16,31H,6,10,12,14H2,1H3,(H,24,26,27)/t16-/m1/s1
InChIKeyFLGVVEFIZOALIK-MRXNPFEDSA-N
MW413.49 g/mol
LogP2.87
Rot. Bonds4

About (3R)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol

(3R)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol (PubChem CID 162662807) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is (3R)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol
PubChem CID162662807
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name(3R)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCn1ccc2c(-c3nc4nccc(-n5cc(CN6CC[C@@H](O)C6)cn5)c4[nH]3)cccc21
InChIInChI=1S/C23H23N7O/c1-28-9-7-17-18(3-2-4-19(17)28)22-26-21-20(5-8-24-23(21)27-22)30-13-15(11-25-30)12-29-10-6-16(31)14-29/h2-5,7-9,11,13,16,31H,6,10,12,14H2,1H3,(H,24,26,27)/t16-/m1/s1
InChIKeyFLGVVEFIZOALIK-MRXNPFEDSA-N
XLogP2.87
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol (CID 162662807) is (3R)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol is Cn1ccc2c(-c3nc4nccc(-n5cc(CN6CC[C@@H](O)C6)cn5)c4[nH]3)cccc21.
What is the InChIKey of (3R)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The InChIKey is FLGVVEFIZOALIK-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23N7O/c1-28-9-7-17-18(3-2-4-19(17)28)22-26-21-20(5-8-24-23(21)27-22)30-13-15(11-25-30)12-29-10-6-16(31)14-29/h2-5,7-9,11,13,16,31H,6,10,12,14H2,1H3,(H,24,26,27)/t16-/m1/s1.
What are the key properties of (3R)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol?
(3R)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol has a molecular weight of 413.49 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 162662807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).