(3R,4S)-1-[3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-fluoropiperidin-4-amine

C19H20ClFN8 — CID 155673155

IUPAC(3R,4S)-1-[3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-fluoropiperidin-4-amine
SMILESCc1nc2c(-c3ccc4nn(C)cc4c3Cl)[nH]nc2nc1N1CC[C@H](N)[C@H](F)C1
InChIInChI=1S/C19H20ClFN8/c1-9-19(29-6-5-13(22)12(21)8-29)24-18-17(23-9)16(25-26-18)10-3-4-14-11(15(10)20)7-28(2)27-14/h3-4,7,12-13H,5-6,8,22H2,1-2H3,(H,24,25,26)/t12-,13+/m1/s1
InChIKeyUSMLJHAOTFZYOM-OLZOCXBDSA-N
MW414.88 g/mol
LogP2.74
Rot. Bonds2

About (3R,4S)-1-[3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-fluoropiperidin-4-amine

(3R,4S)-1-[3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-fluoropiperidin-4-amine (PubChem CID 155673155) has the molecular formula C19H20ClFN8 and a molecular weight of 414.88 g/mol. Its IUPAC name is (3R,4S)-1-[3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-fluoropiperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-1-[3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-fluoropiperidin-4-amine
PubChem CID155673155
Molecular FormulaC19H20ClFN8
Molecular Weight414.88 g/mol
Exact Mass414.15
IUPAC Name(3R,4S)-1-[3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-fluoropiperidin-4-amine
SMILESCc1nc2c(-c3ccc4nn(C)cc4c3Cl)[nH]nc2nc1N1CC[C@H](N)[C@H](F)C1
InChIInChI=1S/C19H20ClFN8/c1-9-19(29-6-5-13(22)12(21)8-29)24-18-17(23-9)16(25-26-18)10-3-4-14-11(15(10)20)7-28(2)27-14/h3-4,7,12-13H,5-6,8,22H2,1-2H3,(H,24,25,26)/t12-,13+/m1/s1
InChIKeyUSMLJHAOTFZYOM-OLZOCXBDSA-N
XLogP2.74
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.88
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
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N~2~-[(7-Chloro-1h-Benzimidazol-6-Yl)methyl]-N~4~-(5-Cyclopropyl-1h-Pyrazol-3-Yl)pyrimidine-2,4-Diamine
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4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine
CID 132166808
1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166923
1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
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7-[2-chloro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-fluoropiperidin-4-amine?
The IUPAC name of (3R,4S)-1-[3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-fluoropiperidin-4-amine (CID 155673155) is (3R,4S)-1-[3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-fluoropiperidin-4-amine.
What is the SMILES notation for (3R,4S)-1-[3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-fluoropiperidin-4-amine?
The canonical SMILES for (3R,4S)-1-[3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-fluoropiperidin-4-amine is Cc1nc2c(-c3ccc4nn(C)cc4c3Cl)[nH]nc2nc1N1CC[C@H](N)[C@H](F)C1.
What is the InChIKey of (3R,4S)-1-[3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-fluoropiperidin-4-amine?
The InChIKey is USMLJHAOTFZYOM-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H20ClFN8/c1-9-19(29-6-5-13(22)12(21)8-29)24-18-17(23-9)16(25-26-18)10-3-4-14-11(15(10)20)7-28(2)27-14/h3-4,7,12-13H,5-6,8,22H2,1-2H3,(H,24,25,26)/t12-,13+/m1/s1.
What are the key properties of (3R,4S)-1-[3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-fluoropiperidin-4-amine?
(3R,4S)-1-[3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-fluoropiperidin-4-amine has a molecular weight of 414.88 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-fluoropiperidin-4-amine is sourced from PubChem (CID 155673155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).