(2R,4S)-4-cyclopropyl-4-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]butan-2-ol

C21H24N6O — CID 90336488

IUPAC(2R,4S)-4-cyclopropyl-4-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]butan-2-ol
SMILESC[C@@H](O)C[C@@H](C1CC1)n1ccc(-c2nc(-c3cnn(C)c3)cc3nccn23)c1
InChIInChI=1S/C21H24N6O/c1-14(28)9-19(15-3-4-15)26-7-5-16(13-26)21-24-18(17-11-23-25(2)12-17)10-20-22-6-8-27(20)21/h5-8,10-15,19,28H,3-4,9H2,1-2H3/t14-,19+/m1/s1
InChIKeyHGVUKAXRBHNYQI-KUHUBIRLSA-N
MW376.46 g/mol
LogP3.32
Rot. Bonds6

About (2R,4S)-4-cyclopropyl-4-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]butan-2-ol

(2R,4S)-4-cyclopropyl-4-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]butan-2-ol (PubChem CID 90336488) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is (2R,4S)-4-cyclopropyl-4-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R,4S)-4-cyclopropyl-4-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]butan-2-ol
PubChem CID90336488
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name(2R,4S)-4-cyclopropyl-4-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]butan-2-ol
SMILESC[C@@H](O)C[C@@H](C1CC1)n1ccc(-c2nc(-c3cnn(C)c3)cc3nccn23)c1
InChIInChI=1S/C21H24N6O/c1-14(28)9-19(15-3-4-15)26-7-5-16(13-26)21-24-18(17-11-23-25(2)12-17)10-20-22-6-8-27(20)21/h5-8,10-15,19,28H,3-4,9H2,1-2H3/t14-,19+/m1/s1
InChIKeyHGVUKAXRBHNYQI-KUHUBIRLSA-N
XLogP3.32
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-[(1S)-1-[(1R)-2,2-difluorocyclopropyl]-3-fluoropropyl]pyrrol-3-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine
CID 71523363
5-(1-but-3-ynylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine
CID 71523168
3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-pyridin-4-ylpropanenitrile
CID 67456894
2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile
CID 123763551
2-[1-(cyanomethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 87408447
N-methyl-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-amine;hydrochloride
CID 163302339
2-[1-(2-fluoroethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 87407581
5-tert-butyl-N-[[2-methyl-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 168885296
5-[1-(1-cyclopentylhept-3-ynyl)pyrazol-4-yl]-7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-c]pyrimidine
CID 123140347
1-[(4S)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxyazepan-1-yl]prop-2-en-1-one
CID 163301608
5-[1-(2-cyano-1-cyclopropylethyl)pyrazol-4-yl]-N-cyclobutylimidazo[1,2-c]pyrimidine-7-carboxamide
CID 67458964
2-methyl-3-[4-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]propanenitrile
CID 67458975

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-cyclopropyl-4-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]butan-2-ol?
The IUPAC name of (2R,4S)-4-cyclopropyl-4-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]butan-2-ol (CID 90336488) is (2R,4S)-4-cyclopropyl-4-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]butan-2-ol.
What is the SMILES notation for (2R,4S)-4-cyclopropyl-4-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]butan-2-ol?
The canonical SMILES for (2R,4S)-4-cyclopropyl-4-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]butan-2-ol is C[C@@H](O)C[C@@H](C1CC1)n1ccc(-c2nc(-c3cnn(C)c3)cc3nccn23)c1.
What is the InChIKey of (2R,4S)-4-cyclopropyl-4-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]butan-2-ol?
The InChIKey is HGVUKAXRBHNYQI-KUHUBIRLSA-N. The full InChI is InChI=1S/C21H24N6O/c1-14(28)9-19(15-3-4-15)26-7-5-16(13-26)21-24-18(17-11-23-25(2)12-17)10-20-22-6-8-27(20)21/h5-8,10-15,19,28H,3-4,9H2,1-2H3/t14-,19+/m1/s1.
What are the key properties of (2R,4S)-4-cyclopropyl-4-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]butan-2-ol?
(2R,4S)-4-cyclopropyl-4-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]butan-2-ol has a molecular weight of 376.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-cyclopropyl-4-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]butan-2-ol is sourced from PubChem (CID 90336488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).