7,10-difluoro-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C18H18F2N8 — CID 167359270

IUPAC7,10-difluoro-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCn1cc(N2CCCC(c3nc4c5c(F)ccc(F)c5nc(N)n4n3)C2)cn1
InChIInChI=1S/C18H18F2N8/c1-26-9-11(7-22-26)27-6-2-3-10(8-27)16-24-17-14-12(19)4-5-13(20)15(14)23-18(21)28(17)25-16/h4-5,7,9-10H,2-3,6,8H2,1H3,(H2,21,23)
InChIKeyNBIMIOSGTNMYKN-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.26
Rot. Bonds2

About 7,10-difluoro-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

7,10-difluoro-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 167359270) has the molecular formula C18H18F2N8 and a molecular weight of 384.39 g/mol. Its IUPAC name is 7,10-difluoro-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7,10-difluoro-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID167359270
Molecular FormulaC18H18F2N8
Molecular Weight384.39 g/mol
Exact Mass384.16
IUPAC Name7,10-difluoro-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCn1cc(N2CCCC(c3nc4c5c(F)ccc(F)c5nc(N)n4n3)C2)cn1
InChIInChI=1S/C18H18F2N8/c1-26-9-11(7-22-26)27-6-2-3-10(8-27)16-24-17-14-12(19)4-5-13(20)15(14)23-18(21)28(17)25-16/h4-5,7,9-10H,2-3,6,8H2,1H3,(H2,21,23)
InChIKeyNBIMIOSGTNMYKN-UHFFFAOYSA-N
XLogP2.26
TPSA90.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol
CID 146597584
7-methoxy-2-[(3R)-1-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359235
9-fluoro-8-methoxy-2-[(3R)-1-(1-propan-2-ylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146650730
2-[(3R)-1-(1-ethylpyrazol-4-yl)piperidin-3-yl]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 159673651
7-methoxy-2-[1-[1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146597572
7-methoxy-2-[(3R)-1-[1-(2-methoxycyclopentyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359269
7-methoxy-2-[(3R)-1-[1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146597571
7-methoxy-2-[(3R)-1-phenylpiperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 155926715
7-methoxy-2-[(3R)-1-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359063
3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol
CID 167359163
2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]cyclobutan-1-one
CID 146651141
3-[4-[(3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol
CID 164607515

Frequently Asked Questions

What is the IUPAC name of 7,10-difluoro-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 7,10-difluoro-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 167359270) is 7,10-difluoro-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 7,10-difluoro-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 7,10-difluoro-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is Cn1cc(N2CCCC(c3nc4c5c(F)ccc(F)c5nc(N)n4n3)C2)cn1.
What is the InChIKey of 7,10-difluoro-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is NBIMIOSGTNMYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N8/c1-26-9-11(7-22-26)27-6-2-3-10(8-27)16-24-17-14-12(19)4-5-13(20)15(14)23-18(21)28(17)25-16/h4-5,7,9-10H,2-3,6,8H2,1H3,(H2,21,23).
What are the key properties of 7,10-difluoro-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7,10-difluoro-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 384.39 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-difluoro-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 167359270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).