3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole

C19H20F2N4O — CID 118657118

IUPAC3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3ccnc(N4C[C@H](F)[C@@H](F)C4)c3)c2c1
InChIInChI=1S/C19H20F2N4O/c1-11(2)26-13-3-4-17-14(8-13)19(24-23-17)12-5-6-22-18(7-12)25-9-15(20)16(21)10-25/h3-8,11,15-16H,9-10H2,1-2H3,(H,23,24)/t15-,16-/m0/s1
InChIKeyPMQVEEZRJCKTIY-HOTGVXAUSA-N
MW358.39 g/mol
LogP3.91
Rot. Bonds4

About 3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole

3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole (PubChem CID 118657118) has the molecular formula C19H20F2N4O and a molecular weight of 358.39 g/mol. Its IUPAC name is 3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole.

Molecular Properties

Compound Name3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
PubChem CID118657118
Molecular FormulaC19H20F2N4O
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3ccnc(N4C[C@H](F)[C@@H](F)C4)c3)c2c1
InChIInChI=1S/C19H20F2N4O/c1-11(2)26-13-3-4-17-14(8-13)19(24-23-17)12-5-6-22-18(7-12)25-9-15(20)16(21)10-25/h3-8,11,15-16H,9-10H2,1-2H3,(H,23,24)/t15-,16-/m0/s1
InChIKeyPMQVEEZRJCKTIY-HOTGVXAUSA-N
XLogP3.91
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole?
The IUPAC name of 3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole (CID 118657118) is 3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole.
What is the SMILES notation for 3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole?
The canonical SMILES for 3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole is CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4C[C@H](F)[C@@H](F)C4)c3)c2c1.
What is the InChIKey of 3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole?
The InChIKey is PMQVEEZRJCKTIY-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H20F2N4O/c1-11(2)26-13-3-4-17-14(8-13)19(24-23-17)12-5-6-22-18(7-12)25-9-15(20)16(21)10-25/h3-8,11,15-16H,9-10H2,1-2H3,(H,23,24)/t15-,16-/m0/s1.
What are the key properties of 3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole?
3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole has a molecular weight of 358.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole is sourced from PubChem (CID 118657118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).