5-[6-[4-(7-amino-6-fluoro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-5-yl]piperidin-3-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C30H34F2N14 — CID 163412190

IUPAC5-[6-[4-(7-amino-6-fluoro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-5-yl]piperidin-3-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(F)c(C4CCC(c5c(-c6cnn7c(N)c(F)c(C8CCCNC8)nc67)cnn5C)NC4)nc23)cn1
InChIInChI=1S/C30H34F2N14/c1-43-14-17(10-37-43)18-11-39-45-27(33)23(32)25(41-29(18)45)16-5-6-21(36-9-16)26-19(12-38-44(26)2)20-13-40-46-28(34)22(31)24(42-30(20)46)15-4-3-7-35-8-15/h10-16,21,35-36H,3-9,33-34H2,1-2H3
InChIKeyABKYUYQTKHOQNY-UHFFFAOYSA-N
MW628.70 g/mol
LogP2.69
Rot. Bonds5

About 5-[6-[4-(7-amino-6-fluoro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-5-yl]piperidin-3-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-[6-[4-(7-amino-6-fluoro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-5-yl]piperidin-3-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 163412190) has the molecular formula C30H34F2N14 and a molecular weight of 628.70 g/mol. Its IUPAC name is 5-[6-[4-(7-amino-6-fluoro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-5-yl]piperidin-3-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[6-[4-(7-amino-6-fluoro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-5-yl]piperidin-3-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID163412190
Molecular FormulaC30H34F2N14
Molecular Weight628.70 g/mol
Exact Mass628.31
IUPAC Name5-[6-[4-(7-amino-6-fluoro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-5-yl]piperidin-3-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(F)c(C4CCC(c5c(-c6cnn7c(N)c(F)c(C8CCCNC8)nc67)cnn5C)NC4)nc23)cn1
InChIInChI=1S/C30H34F2N14/c1-43-14-17(10-37-43)18-11-39-45-27(33)23(32)25(41-29(18)45)16-5-6-21(36-9-16)26-19(12-38-44(26)2)20-13-40-46-28(34)22(31)24(42-30(20)46)15-4-3-7-35-8-15/h10-16,21,35-36H,3-9,33-34H2,1-2H3
InChIKeyABKYUYQTKHOQNY-UHFFFAOYSA-N
XLogP2.69
TPSA172.12 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.70
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 5-[6-[4-(7-amino-6-fluoro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-5-yl]piperidin-3-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

(R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159001
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224162
3-(1-methyl-1H-pyrazol-4-yl)-6-phenyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224163
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224368
3,6-bis(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224372
6-ethyl-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224566
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-N-(pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24824518
N-(3-fluoro-2-pyridyl)-5-[6-[(1-methyl-4-piperidyl)methyl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
CID 66548925
1-[(trans-4-Aminocyclohexyl)methyl]-N-butyl-3-[6-(1-piperazinyl)-3-pyridinyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 68212480
6-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 74396249
5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 136968893
3-(4-fluorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 17587027

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(7-amino-6-fluoro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-5-yl]piperidin-3-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[6-[4-(7-amino-6-fluoro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-5-yl]piperidin-3-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 163412190) is 5-[6-[4-(7-amino-6-fluoro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-5-yl]piperidin-3-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[6-[4-(7-amino-6-fluoro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-5-yl]piperidin-3-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[6-[4-(7-amino-6-fluoro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-5-yl]piperidin-3-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N)c(F)c(C4CCC(c5c(-c6cnn7c(N)c(F)c(C8CCCNC8)nc67)cnn5C)NC4)nc23)cn1.
What is the InChIKey of 5-[6-[4-(7-amino-6-fluoro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-5-yl]piperidin-3-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ABKYUYQTKHOQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F2N14/c1-43-14-17(10-37-43)18-11-39-45-27(33)23(32)25(41-29(18)45)16-5-6-21(36-9-16)26-19(12-38-44(26)2)20-13-40-46-28(34)22(31)24(42-30(20)46)15-4-3-7-35-8-15/h10-16,21,35-36H,3-9,33-34H2,1-2H3.
What are the key properties of 5-[6-[4-(7-amino-6-fluoro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-5-yl]piperidin-3-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-[6-[4-(7-amino-6-fluoro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-5-yl]piperidin-3-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 628.70 g/mol, XLogP of 2.69, 5 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-(7-amino-6-fluoro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-5-yl]piperidin-3-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 163412190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).