1-[3-methoxy-5-[3-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol

C27H32N6O3 — CID 134216534

IUPAC1-[3-methoxy-5-[3-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cc(OC)cc(C2=NC3=C(C(C)C)CNN3C(c3cnc4[nH]ccc4c3)=C2)c1
InChIInChI=1S/C27H32N6O3/c1-16(2)23-14-31-33-25(19-7-17-5-6-29-26(17)30-12-19)11-24(32-27(23)33)18-8-21(35-4)10-22(9-18)36-15-20(34)13-28-3/h5-12,16,20,28,31,34H,13-15H2,1-4H3,(H,29,30)
InChIKeyUESHGUGFNVDMLN-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.06
Rot. Bonds9

About 1-[3-methoxy-5-[3-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol

1-[3-methoxy-5-[3-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 134216534) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 1-[3-methoxy-5-[3-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[3-methoxy-5-[3-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
PubChem CID134216534
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Name1-[3-methoxy-5-[3-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cc(OC)cc(C2=NC3=C(C(C)C)CNN3C(c3cnc4[nH]ccc4c3)=C2)c1
InChIInChI=1S/C27H32N6O3/c1-16(2)23-14-31-33-25(19-7-17-5-6-29-26(17)30-12-19)11-24(32-27(23)33)18-8-21(35-4)10-22(9-18)36-15-20(34)13-28-3/h5-12,16,20,28,31,34H,13-15H2,1-4H3,(H,29,30)
InChIKeyUESHGUGFNVDMLN-UHFFFAOYSA-N
XLogP3.06
TPSA107.03 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[3-methoxy-5-[3-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol with MolForge

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Related Compounds

5-[4-[1-(4-methoxyphenyl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 175083824
1-[3-methoxy-5-[7-[2-methoxyethyl(methyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 123742175
1-[3-methoxy-5-[7-(6-methyl-3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 123712366
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 43188013
3-[(2S)-2-hydroxy-3-[[(3R)-8-(1H-pyrrolo[2,3-b]pyridin-5-ylsulfonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide
CID 138681555
(2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol
CID 39352654
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-3-methanimidoyl-2-(propan-2-ylamino)-4-pyridinyl]piperidine-4-carboxylate
CID 134216347
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidine
CID 56966668
N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 175464575
5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 140781014

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-5-[3-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[3-methoxy-5-[3-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 134216534) is 1-[3-methoxy-5-[3-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[3-methoxy-5-[3-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[3-methoxy-5-[3-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1cc(OC)cc(C2=NC3=C(C(C)C)CNN3C(c3cnc4[nH]ccc4c3)=C2)c1.
What is the InChIKey of 1-[3-methoxy-5-[3-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol?
The InChIKey is UESHGUGFNVDMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-16(2)23-14-31-33-25(19-7-17-5-6-29-26(17)30-12-19)11-24(32-27(23)33)18-8-21(35-4)10-22(9-18)36-15-20(34)13-28-3/h5-12,16,20,28,31,34H,13-15H2,1-4H3,(H,29,30).
What are the key properties of 1-[3-methoxy-5-[3-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol?
1-[3-methoxy-5-[3-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 488.59 g/mol, XLogP of 3.06, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-5-[3-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 134216534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).