[3-[2,5-difluoro-4-(1H-pyrazol-4-yl)anilino]furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C21H17F2N5O3 — CID 59704644

IUPAC[3-[2,5-difluoro-4-(1H-pyrazol-4-yl)anilino]furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1oc2ccncc2c1Nc1cc(F)c(-c2cn[nH]c2)cc1F)N1CC[C@@H](O)C1
InChIInChI=1S/C21H17F2N5O3/c22-15-6-17(16(23)5-13(15)11-7-25-26-8-11)27-19-14-9-24-3-1-18(14)31-20(19)21(30)28-4-2-12(29)10-28/h1,3,5-9,12,27,29H,2,4,10H2,(H,25,26)/t12-/m1/s1
InChIKeyCODVTXGSCQBDIJ-GFCCVEGCSA-N
MW425.40 g/mol
LogP3.45
Rot. Bonds4

About [3-[2,5-difluoro-4-(1H-pyrazol-4-yl)anilino]furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

[3-[2,5-difluoro-4-(1H-pyrazol-4-yl)anilino]furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 59704644) has the molecular formula C21H17F2N5O3 and a molecular weight of 425.40 g/mol. Its IUPAC name is [3-[2,5-difluoro-4-(1H-pyrazol-4-yl)anilino]furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[2,5-difluoro-4-(1H-pyrazol-4-yl)anilino]furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID59704644
Molecular FormulaC21H17F2N5O3
Molecular Weight425.40 g/mol
Exact Mass425.13
IUPAC Name[3-[2,5-difluoro-4-(1H-pyrazol-4-yl)anilino]furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1oc2ccncc2c1Nc1cc(F)c(-c2cn[nH]c2)cc1F)N1CC[C@@H](O)C1
InChIInChI=1S/C21H17F2N5O3/c22-15-6-17(16(23)5-13(15)11-7-25-26-8-11)27-19-14-9-24-3-1-18(14)31-20(19)21(30)28-4-2-12(29)10-28/h1,3,5-9,12,27,29H,2,4,10H2,(H,25,26)/t12-/m1/s1
InChIKeyCODVTXGSCQBDIJ-GFCCVEGCSA-N
XLogP3.45
TPSA107.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[2,5-difluoro-4-(1H-pyrazol-4-yl)anilino]furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [3-[2,5-difluoro-4-(1H-pyrazol-4-yl)anilino]furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 59704644) is [3-[2,5-difluoro-4-(1H-pyrazol-4-yl)anilino]furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-[2,5-difluoro-4-(1H-pyrazol-4-yl)anilino]furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [3-[2,5-difluoro-4-(1H-pyrazol-4-yl)anilino]furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1oc2ccncc2c1Nc1cc(F)c(-c2cn[nH]c2)cc1F)N1CC[C@@H](O)C1.
What is the InChIKey of [3-[2,5-difluoro-4-(1H-pyrazol-4-yl)anilino]furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is CODVTXGSCQBDIJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H17F2N5O3/c22-15-6-17(16(23)5-13(15)11-7-25-26-8-11)27-19-14-9-24-3-1-18(14)31-20(19)21(30)28-4-2-12(29)10-28/h1,3,5-9,12,27,29H,2,4,10H2,(H,25,26)/t12-/m1/s1.
What are the key properties of [3-[2,5-difluoro-4-(1H-pyrazol-4-yl)anilino]furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
[3-[2,5-difluoro-4-(1H-pyrazol-4-yl)anilino]furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 425.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2,5-difluoro-4-(1H-pyrazol-4-yl)anilino]furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 59704644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).