2-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H33ClFN9O — CID 137284536

IUPAC2-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN2CCN(C3C(Cl)CNCC3NC(=O)c3c(N)nn4c3NCC(F)C4)CC2C1
InChIInChI=1S/C20H33ClFN9O/c1-28-2-3-29-4-5-30(11-13(29)10-28)17-14(21)7-24-8-15(17)26-20(32)16-18(23)27-31-9-12(22)6-25-19(16)31/h12-15,17,24-25H,2-11H2,1H3,(H2,23,27)(H,26,32)
InChIKeyDEIQVMQQJYRFDS-UHFFFAOYSA-N
MW470.00 g/mol
LogP-1.16
Rot. Bonds3

About 2-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137284536) has the molecular formula C20H33ClFN9O and a molecular weight of 470.00 g/mol. Its IUPAC name is 2-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137284536
Molecular FormulaC20H33ClFN9O
Molecular Weight470.00 g/mol
Exact Mass469.25
IUPAC Name2-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN2CCN(C3C(Cl)CNCC3NC(=O)c3c(N)nn4c3NCC(F)C4)CC2C1
InChIInChI=1S/C20H33ClFN9O/c1-28-2-3-29-4-5-30(11-13(29)10-28)17-14(21)7-24-8-15(17)26-20(32)16-18(23)27-31-9-12(22)6-25-19(16)31/h12-15,17,24-25H,2-11H2,1H3,(H2,23,27)(H,26,32)
InChIKeyDEIQVMQQJYRFDS-UHFFFAOYSA-N
XLogP-1.16
TPSA106.72 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.00
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

2-amino-6-fluoro-N-[5-fluoro-4-[3-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146580001
2-amino-6-fluoro-N-[5-fluoro-4-[4-(3-hydroxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137284620
2-amino-6-fluoro-N-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137284591
2-amino-6-(1-cyanocyclopropyl)-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137299941
2-amino-6-fluoro-N-(3-fluoro-4-piperidin-1-yl-1-azaspiro[5.8]tetradecan-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137299948
2-amino-N-[4-(4-tert-butylpiperazin-1-yl)piperidin-3-yl]-6-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137284555
2-amino-6-chloro-N-[4-(4-ethylpiperazin-1-yl)piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137284535
2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-methylmorpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163439362
2-amino-N-[4-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-5-fluoropiperidin-3-yl]-6-fluoro-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134339956
3,3-diamino-N-[5-chloro-4-(4-methylpiperazin-1-yl)piperidin-3-yl]-2-(5-fluoro-3-azaspiro[6.6]tridec-3-en-2-yl)propanamide
CID 123767147
2-amino-6-fluoro-N-[5-fluoro-4-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137284584
2-amino-N-[4-[4-[(5R)-1,4-diazabicyclo[3.2.1]octane-4-carbonyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129132881

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137284536) is 2-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCN2CCN(C3C(Cl)CNCC3NC(=O)c3c(N)nn4c3NCC(F)C4)CC2C1.
What is the InChIKey of 2-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DEIQVMQQJYRFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33ClFN9O/c1-28-2-3-29-4-5-30(11-13(29)10-28)17-14(21)7-24-8-15(17)26-20(32)16-18(23)27-31-9-12(22)6-25-19(16)31/h12-15,17,24-25H,2-11H2,1H3,(H2,23,27)(H,26,32).
What are the key properties of 2-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 470.00 g/mol, XLogP of -1.16, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137284536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).