(4,4-difluorocyclohexyl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone

C23H20F2N4O — CID 134197891

IUPAC(4,4-difluorocyclohexyl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone
SMILESO=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)C1CCC(F)(F)CC1
InChIInChI=1S/C23H20F2N4O/c24-23(25)10-8-14(9-11-23)21(30)18-4-1-3-15-13-16(6-7-17(15)18)27-22-20-19(28-29-22)5-2-12-26-20/h1-7,12-14H,8-11H2,(H2,27,28,29)
InChIKeySMSUXTLCUQGVFO-UHFFFAOYSA-N
MW406.44 g/mol
LogP5.86
Rot. Bonds4

About (4,4-difluorocyclohexyl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone

(4,4-difluorocyclohexyl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone (PubChem CID 134197891) has the molecular formula C23H20F2N4O and a molecular weight of 406.44 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone
PubChem CID134197891
Molecular FormulaC23H20F2N4O
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name(4,4-difluorocyclohexyl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone
SMILESO=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)C1CCC(F)(F)CC1
InChIInChI=1S/C23H20F2N4O/c24-23(25)10-8-14(9-11-23)21(30)18-4-1-3-15-13-16(6-7-17(15)18)27-22-20-19(28-29-22)5-2-12-26-20/h1-7,12-14H,8-11H2,(H2,27,28,29)
InChIKeySMSUXTLCUQGVFO-UHFFFAOYSA-N
XLogP5.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.44
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone (CID 134197891) is (4,4-difluorocyclohexyl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone is O=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone?
The InChIKey is SMSUXTLCUQGVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O/c24-23(25)10-8-14(9-11-23)21(30)18-4-1-3-15-13-16(6-7-17(15)18)27-22-20-19(28-29-22)5-2-12-26-20/h1-7,12-14H,8-11H2,(H2,27,28,29).
What are the key properties of (4,4-difluorocyclohexyl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone?
(4,4-difluorocyclohexyl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone has a molecular weight of 406.44 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone is sourced from PubChem (CID 134197891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).