3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine

C19H17F2N5O — CID 157094776

IUPAC3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCn1nc(OCC2CC2(F)F)c2ccc(NC3=NCc4cccnc43)cc21
InChIInChI=1S/C19H17F2N5O/c1-26-15-7-13(24-17-16-11(9-23-17)3-2-6-22-16)4-5-14(15)18(25-26)27-10-12-8-19(12,20)21/h2-7,12H,8-10H2,1H3,(H,23,24)
InChIKeyMAFVBDJTHBWZBL-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.37
Rot. Bonds4

About 3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine

3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (PubChem CID 157094776) has the molecular formula C19H17F2N5O and a molecular weight of 369.38 g/mol. Its IUPAC name is 3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.

Molecular Properties

Compound Name3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
PubChem CID157094776
Molecular FormulaC19H17F2N5O
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCn1nc(OCC2CC2(F)F)c2ccc(NC3=NCc4cccnc43)cc21
InChIInChI=1S/C19H17F2N5O/c1-26-15-7-13(24-17-16-11(9-23-17)3-2-6-22-16)4-5-14(15)18(25-26)27-10-12-8-19(12,20)21/h2-7,12H,8-10H2,1H3,(H,23,24)
InChIKeyMAFVBDJTHBWZBL-UHFFFAOYSA-N
XLogP3.37
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134191965
N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192062
N-[1-methyl-3-(oxan-4-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192169
N-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134198051
US10034861, Example 77
CID 132273376
US10034861, Example 199
CID 132273487
N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192002
US10266548, Example 2-5-1
CID 130417013
US10266548, Example 2-15-1
CID 130417017
US10034861, Example 90
CID 132273387
US10034861, Example 89
CID 132273388
US10034861, Example 107
CID 132273405

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The IUPAC name of 3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (CID 157094776) is 3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.
What is the SMILES notation for 3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The canonical SMILES for 3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is Cn1nc(OCC2CC2(F)F)c2ccc(NC3=NCc4cccnc43)cc21.
What is the InChIKey of 3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The InChIKey is MAFVBDJTHBWZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O/c1-26-15-7-13(24-17-16-11(9-23-17)3-2-6-22-16)4-5-14(15)18(25-26)27-10-12-8-19(12,20)21/h2-7,12H,8-10H2,1H3,(H,23,24).
What are the key properties of 3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine has a molecular weight of 369.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is sourced from PubChem (CID 157094776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).