(3,3-difluoropyrrolidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone

C19H17F2N7O — CID 134198076

IUPAC(3,3-difluoropyrrolidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone
SMILESCn1nc(C(=O)N2CCC(F)(F)C2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C19H17F2N7O/c1-27-14-9-11(23-17-16-13(24-25-17)3-2-7-22-16)4-5-12(14)15(26-27)18(29)28-8-6-19(20,21)10-28/h2-5,7,9H,6,8,10H2,1H3,(H2,23,24,25)
InChIKeyGTHQUTAXFCXYOG-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.07
Rot. Bonds3

About (3,3-difluoropyrrolidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone

(3,3-difluoropyrrolidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone (PubChem CID 134198076) has the molecular formula C19H17F2N7O and a molecular weight of 397.39 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone
PubChem CID134198076
Molecular FormulaC19H17F2N7O
Molecular Weight397.39 g/mol
Exact Mass397.15
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone
SMILESCn1nc(C(=O)N2CCC(F)(F)C2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C19H17F2N7O/c1-27-14-9-11(23-17-16-13(24-25-17)3-2-7-22-16)4-5-12(14)15(26-27)18(29)28-8-6-19(20,21)10-28/h2-5,7,9H,6,8,10H2,1H3,(H2,23,24,25)
InChIKeyGTHQUTAXFCXYOG-UHFFFAOYSA-N
XLogP3.07
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone (CID 134198076) is (3,3-difluoropyrrolidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone is Cn1nc(C(=O)N2CCC(F)(F)C2)c2ccc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone?
The InChIKey is GTHQUTAXFCXYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N7O/c1-27-14-9-11(23-17-16-13(24-25-17)3-2-7-22-16)4-5-12(14)15(26-27)18(29)28-8-6-19(20,21)10-28/h2-5,7,9H,6,8,10H2,1H3,(H2,23,24,25).
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone?
(3,3-difluoropyrrolidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone has a molecular weight of 397.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone is sourced from PubChem (CID 134198076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).