5,7-difluoro-6-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

C24H23F2N7O — CID 134326964

IUPAC5,7-difluoro-6-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2c1cc(F)c(-c1ncc3[nH]nc(-c4ccc(N5CCOCC5)nc4)c3n1)c2F
InChIInChI=1S/C24H23F2N7O/c25-16-10-15-14(2-1-3-17(15)27)21(26)20(16)24-29-12-18-23(30-24)22(32-31-18)13-4-5-19(28-11-13)33-6-8-34-9-7-33/h4-5,10-12,17H,1-3,6-9,27H2,(H,31,32)
InChIKeyYIUUDPUTJADPAE-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.53
Rot. Bonds3

About 5,7-difluoro-6-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

5,7-difluoro-6-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 134326964) has the molecular formula C24H23F2N7O and a molecular weight of 463.49 g/mol. Its IUPAC name is 5,7-difluoro-6-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5,7-difluoro-6-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID134326964
Molecular FormulaC24H23F2N7O
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Name5,7-difluoro-6-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2c1cc(F)c(-c1ncc3[nH]nc(-c4ccc(N5CCOCC5)nc4)c3n1)c2F
InChIInChI=1S/C24H23F2N7O/c25-16-10-15-14(2-1-3-17(15)27)21(26)20(16)24-29-12-18-23(30-24)22(32-31-18)13-4-5-19(28-11-13)33-6-8-34-9-7-33/h4-5,10-12,17H,1-3,6-9,27H2,(H,31,32)
InChIKeyYIUUDPUTJADPAE-UHFFFAOYSA-N
XLogP3.53
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-6-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5,7-difluoro-6-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 134326964) is 5,7-difluoro-6-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5,7-difluoro-6-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5,7-difluoro-6-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is NC1CCCc2c1cc(F)c(-c1ncc3[nH]nc(-c4ccc(N5CCOCC5)nc4)c3n1)c2F.
What is the InChIKey of 5,7-difluoro-6-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is YIUUDPUTJADPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7O/c25-16-10-15-14(2-1-3-17(15)27)21(26)20(16)24-29-12-18-23(30-24)22(32-31-18)13-4-5-19(28-11-13)33-6-8-34-9-7-33/h4-5,10-12,17H,1-3,6-9,27H2,(H,31,32).
What are the key properties of 5,7-difluoro-6-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
5,7-difluoro-6-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 463.49 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-6-[3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 134326964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).