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

C22H35F2N9O2 — CID 146580001

IUPAC2-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
SMILESCN1CCN(C(=O)C2CCN(C3C(F)CNCC3NC(=O)c3c(N)nn4c3NCC(F)C4)C2)CC1
InChIInChI=1S/C22H35F2N9O2/c1-30-4-6-31(7-5-30)22(35)13-2-3-32(11-13)18-15(24)9-26-10-16(18)28-21(34)17-19(25)29-33-12-14(23)8-27-20(17)33/h13-16,18,26-27H,2-12H2,1H3,(H2,25,29)(H,28,34)
InChIKeyVIWSOQCNTHMZPL-UHFFFAOYSA-N
MW495.58 g/mol
LogP-1.27
Rot. Bonds4

About 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

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 (PubChem CID 146580001) has the molecular formula C22H35F2N9O2 and a molecular weight of 495.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID146580001
Molecular FormulaC22H35F2N9O2
Molecular Weight495.58 g/mol
Exact Mass495.29
IUPAC Name2-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
SMILESCN1CCN(C(=O)C2CCN(C3C(F)CNCC3NC(=O)c3c(N)nn4c3NCC(F)C4)C2)CC1
InChIInChI=1S/C22H35F2N9O2/c1-30-4-6-31(7-5-30)22(35)13-2-3-32(11-13)18-15(24)9-26-10-16(18)28-21(34)17-19(25)29-33-12-14(23)8-27-20(17)33/h13-16,18,26-27H,2-12H2,1H3,(H2,25,29)(H,28,34)
InChIKeyVIWSOQCNTHMZPL-UHFFFAOYSA-N
XLogP-1.27
TPSA123.79 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-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
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-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-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-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
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
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CID 137284555
3-amino-2-(3-fluoro-11-methyl-1-azabicyclo[4.3.2]undec-10-en-10-yl)-N-[5-fluoro-4-[4-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]piperidin-3-yl]butanamide
CID 134321925
2-amino-6-fluoro-N-[5-fluoro-1-methyl-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163413738
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCN(C(=O)C2CCN(C3C(F)CNCC3NC(=O)c3c(N)nn4c3NCC(F)C4)C2)CC1.
What is the InChIKey of 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?
The InChIKey is VIWSOQCNTHMZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35F2N9O2/c1-30-4-6-31(7-5-30)22(35)13-2-3-32(11-13)18-15(24)9-26-10-16(18)28-21(34)17-19(25)29-33-12-14(23)8-27-20(17)33/h13-16,18,26-27H,2-12H2,1H3,(H2,25,29)(H,28,34).
What are the key properties of 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?
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 has a molecular weight of 495.58 g/mol, XLogP of -1.27, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146580001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).