1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol

C22H26N4O3 — CID 167482745

IUPAC1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol
SMILESCC(C)(O)COC1COc2ccccc2C1Nc1ncnc2[nH]c(C3CC3)cc12
InChIInChI=1S/C22H26N4O3/c1-22(2,27)11-29-18-10-28-17-6-4-3-5-14(17)19(18)26-21-15-9-16(13-7-8-13)25-20(15)23-12-24-21/h3-6,9,12-13,18-19,27H,7-8,10-11H2,1-2H3,(H2,23,24,25,26)
InChIKeyHZWGQWCSQAQPSB-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.54
Rot. Bonds6

About 1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol

1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol (PubChem CID 167482745) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol
PubChem CID167482745
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol
SMILESCC(C)(O)COC1COc2ccccc2C1Nc1ncnc2[nH]c(C3CC3)cc12
InChIInChI=1S/C22H26N4O3/c1-22(2,27)11-29-18-10-28-17-6-4-3-5-14(17)19(18)26-21-15-9-16(13-7-8-13)25-20(15)23-12-24-21/h3-6,9,12-13,18-19,27H,7-8,10-11H2,1-2H3,(H2,23,24,25,26)
InChIKeyHZWGQWCSQAQPSB-UHFFFAOYSA-N
XLogP3.54
TPSA92.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol with MolForge

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Related Compounds

6-cyclopropyl-N-[(3R,4R)-3-(3-isocyano-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 172508665
6-cyclopropyl-N-[(3S)-3-(3-isocyano-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 172508659
6-cyclopropyl-N-[3-(oxetan-3-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156837791
6-cyclopropyl-N-[(3S,4R)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156838104
6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156838242
N-[3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167482729
6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167482508
6-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;3-methoxyazetidine
CID 156838112
4-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,4-dihydro-2H-chromen-3-ol
CID 167482548
N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167482577
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174168516
N-[(3S,4S)-3-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156838120

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol (CID 167482745) is 1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol is CC(C)(O)COC1COc2ccccc2C1Nc1ncnc2[nH]c(C3CC3)cc12.
What is the InChIKey of 1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol?
The InChIKey is HZWGQWCSQAQPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-22(2,27)11-29-18-10-28-17-6-4-3-5-14(17)19(18)26-21-15-9-16(13-7-8-13)25-20(15)23-12-24-21/h3-6,9,12-13,18-19,27H,7-8,10-11H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol?
1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol has a molecular weight of 394.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol is sourced from PubChem (CID 167482745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).