(3R)-3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indazole

C19H19F2N7 — CID 130372471

IUPAC(3R)-3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indazole
SMILESCn1cc(-c2ccc3c(c2)[C@H](c2cc(N4CCC(F)(F)C4)ncn2)NN3)cn1
InChIInChI=1S/C19H19F2N7/c1-27-9-13(8-24-27)12-2-3-15-14(6-12)18(26-25-15)16-7-17(23-11-22-16)28-5-4-19(20,21)10-28/h2-3,6-9,11,18,25-26H,4-5,10H2,1H3/t18-/m1/s1
InChIKeyNVRMUTPIJMIXRY-GOSISDBHSA-N
MW383.41 g/mol
LogP2.74
Rot. Bonds3

About (3R)-3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indazole

(3R)-3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indazole (PubChem CID 130372471) has the molecular formula C19H19F2N7 and a molecular weight of 383.41 g/mol. Its IUPAC name is (3R)-3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indazole.

Molecular Properties

Compound Name(3R)-3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indazole
PubChem CID130372471
Molecular FormulaC19H19F2N7
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name(3R)-3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indazole
SMILESCn1cc(-c2ccc3c(c2)[C@H](c2cc(N4CCC(F)(F)C4)ncn2)NN3)cn1
InChIInChI=1S/C19H19F2N7/c1-27-9-13(8-24-27)12-2-3-15-14(6-12)18(26-25-15)16-7-17(23-11-22-16)28-5-4-19(20,21)10-28/h2-3,6-9,11,18,25-26H,4-5,10H2,1H3/t18-/m1/s1
InChIKeyNVRMUTPIJMIXRY-GOSISDBHSA-N
XLogP2.74
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-2,3-dihydro-1H-indazole
CID 130372452
3-[6-(3,3-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
CID 90398461
3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-7,7a-dihydro-1H-indazole
CID 144696945
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazole
CID 90400339
3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole
CID 121365287
4-(3,3-difluoropyrrolidin-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 118190112
8-(3,3-difluoropyrrolidin-1-yl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidine
CID 148509114
[4-fluoro-1-[6-[3-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 123236169
4-(1-methylpyrazol-4-yl)-6-piperidin-1-ylpyrimidine
CID 39741292
(2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
CID 130372388
2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 159183455
3-benzyl-3-methyl-5-(1-methylpyrazol-4-yl)-1H-indol-2-one
CID 155537652

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indazole?
The IUPAC name of (3R)-3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indazole (CID 130372471) is (3R)-3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indazole.
What is the SMILES notation for (3R)-3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indazole?
The canonical SMILES for (3R)-3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indazole is Cn1cc(-c2ccc3c(c2)[C@H](c2cc(N4CCC(F)(F)C4)ncn2)NN3)cn1.
What is the InChIKey of (3R)-3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indazole?
The InChIKey is NVRMUTPIJMIXRY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19F2N7/c1-27-9-13(8-24-27)12-2-3-15-14(6-12)18(26-25-15)16-7-17(23-11-22-16)28-5-4-19(20,21)10-28/h2-3,6-9,11,18,25-26H,4-5,10H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indazole?
(3R)-3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indazole has a molecular weight of 383.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indazole is sourced from PubChem (CID 130372471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).