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

C20H19F2N7O — CID 134198344

IUPAC(4,4-difluoropiperidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone
SMILESCn1nc(C(=O)N2CCC(F)(F)CC2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C20H19F2N7O/c1-28-15-11-12(24-18-17-14(25-26-18)3-2-8-23-17)4-5-13(15)16(27-28)19(30)29-9-6-20(21,22)7-10-29/h2-5,8,11H,6-7,9-10H2,1H3,(H2,24,25,26)
InChIKeyCRDYDPIUQVIJQS-UHFFFAOYSA-N
MW411.42 g/mol
LogP3.46
Rot. Bonds3

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

(4,4-difluoropiperidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone (PubChem CID 134198344) has the molecular formula C20H19F2N7O and a molecular weight of 411.42 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone
PubChem CID134198344
Molecular FormulaC20H19F2N7O
Molecular Weight411.42 g/mol
Exact Mass411.16
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone
SMILESCn1nc(C(=O)N2CCC(F)(F)CC2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C20H19F2N7O/c1-28-15-11-12(24-18-17-14(25-26-18)3-2-8-23-17)4-5-13(15)16(27-28)19(30)29-9-6-20(21,22)7-10-29/h2-5,8,11H,6-7,9-10H2,1H3,(H2,24,25,26)
InChIKeyCRDYDPIUQVIJQS-UHFFFAOYSA-N
XLogP3.46
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone (CID 134198344) is (4,4-difluoropiperidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone is Cn1nc(C(=O)N2CCC(F)(F)CC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone?
The InChIKey is CRDYDPIUQVIJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N7O/c1-28-15-11-12(24-18-17-14(25-26-18)3-2-8-23-17)4-5-13(15)16(27-28)19(30)29-9-6-20(21,22)7-10-29/h2-5,8,11H,6-7,9-10H2,1H3,(H2,24,25,26).
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone has a molecular weight of 411.42 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone is sourced from PubChem (CID 134198344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).