2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-azatricyclo[3.3.0.03,7]octan-4-ol

C19H21N5O — CID 163534518

IUPAC2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-azatricyclo[3.3.0.03,7]octan-4-ol
SMILESCN1C2CC3CC2C(O)C31c1cnc2[nH]cc(-c3cnn(C)c3)c2c1
InChIInChI=1S/C19H21N5O/c1-23-9-10(6-22-23)15-8-21-18-13(15)4-12(7-20-18)19-11-3-14(17(19)25)16(5-11)24(19)2/h4,6-9,11,14,16-17,25H,3,5H2,1-2H3,(H,20,21)
InChIKeyDVUVMOHTEVPVER-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.87
Rot. Bonds2

About 2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-azatricyclo[3.3.0.03,7]octan-4-ol

2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-azatricyclo[3.3.0.03,7]octan-4-ol (PubChem CID 163534518) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-azatricyclo[3.3.0.03,7]octan-4-ol.

Molecular Properties

Compound Name2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-azatricyclo[3.3.0.03,7]octan-4-ol
PubChem CID163534518
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-azatricyclo[3.3.0.03,7]octan-4-ol
SMILESCN1C2CC3CC2C(O)C31c1cnc2[nH]cc(-c3cnn(C)c3)c2c1
InChIInChI=1S/C19H21N5O/c1-23-9-10(6-22-23)15-8-21-18-13(15)4-12(7-20-18)19-11-3-14(17(19)25)16(5-11)24(19)2/h4,6-9,11,14,16-17,25H,3,5H2,1-2H3,(H,20,21)
InChIKeyDVUVMOHTEVPVER-UHFFFAOYSA-N
XLogP1.87
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylpyrazol-4-yl)-5-(1,2,3-trimethylpyrrolidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 143731803
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CID 70295130
5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59238861
5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 155794913
5-[(E)-5-(4-methylpiperazin-1-yl)pent-2-en-2-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 143731748
5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 147382339
3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine
CID 25024002
5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 25024004
5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59238625
(8R)-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-oxabicyclo[3.2.1]oct-3-ene-8-carbonitrile
CID 163843770
7-chloro-2-[(1S)-1-cyclopropylethyl]-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3H-isoindol-1-one
CID 162652570
2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide
CID 59320322

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-azatricyclo[3.3.0.03,7]octan-4-ol?
The IUPAC name of 2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-azatricyclo[3.3.0.03,7]octan-4-ol (CID 163534518) is 2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-azatricyclo[3.3.0.03,7]octan-4-ol.
What is the SMILES notation for 2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-azatricyclo[3.3.0.03,7]octan-4-ol?
The canonical SMILES for 2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-azatricyclo[3.3.0.03,7]octan-4-ol is CN1C2CC3CC2C(O)C31c1cnc2[nH]cc(-c3cnn(C)c3)c2c1.
What is the InChIKey of 2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-azatricyclo[3.3.0.03,7]octan-4-ol?
The InChIKey is DVUVMOHTEVPVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23-9-10(6-22-23)15-8-21-18-13(15)4-12(7-20-18)19-11-3-14(17(19)25)16(5-11)24(19)2/h4,6-9,11,14,16-17,25H,3,5H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-azatricyclo[3.3.0.03,7]octan-4-ol?
2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-azatricyclo[3.3.0.03,7]octan-4-ol has a molecular weight of 335.41 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-azatricyclo[3.3.0.03,7]octan-4-ol is sourced from PubChem (CID 163534518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).