3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one

C24H19F2N5O2 — CID 170995115

IUPAC3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one
SMILESCn1cc2cc(-c3cc4n[nH]c(C5CC5)c4n(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1
InChIInChI=1S/C24H19F2N5O2/c1-30-12-15-10-14(4-9-19(15)29-30)18-11-20-22(21(28-27-20)13-2-3-13)31(23(18)32)16-5-7-17(8-6-16)33-24(25)26/h4-13,24H,2-3H2,1H3,(H,27,28)
InChIKeyQEASMQZYZCGOSA-UHFFFAOYSA-N
MW447.45 g/mol
LogP4.75
Rot. Bonds5

About 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one

3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one (PubChem CID 170995115) has the molecular formula C24H19F2N5O2 and a molecular weight of 447.45 g/mol. Its IUPAC name is 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one
PubChem CID170995115
Molecular FormulaC24H19F2N5O2
Molecular Weight447.45 g/mol
Exact Mass447.15
IUPAC Name3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one
SMILESCn1cc2cc(-c3cc4n[nH]c(C5CC5)c4n(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1
InChIInChI=1S/C24H19F2N5O2/c1-30-12-15-10-14(4-9-19(15)29-30)18-11-20-22(21(28-27-20)13-2-3-13)31(23(18)32)16-5-7-17(8-6-16)33-24(25)26/h4-13,24H,2-3H2,1H3,(H,27,28)
InChIKeyQEASMQZYZCGOSA-UHFFFAOYSA-N
XLogP4.75
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one?
The IUPAC name of 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one (CID 170995115) is 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one.
What is the SMILES notation for 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one?
The canonical SMILES for 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one is Cn1cc2cc(-c3cc4n[nH]c(C5CC5)c4n(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1.
What is the InChIKey of 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one?
The InChIKey is QEASMQZYZCGOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O2/c1-30-12-15-10-14(4-9-19(15)29-30)18-11-20-22(21(28-27-20)13-2-3-13)31(23(18)32)16-5-7-17(8-6-16)33-24(25)26/h4-13,24H,2-3H2,1H3,(H,27,28).
What are the key properties of 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one?
3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one has a molecular weight of 447.45 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one is sourced from PubChem (CID 170995115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).