2-amino-6-chloro-N-[4-(4-ethylpiperazin-1-yl)piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H31ClN8O — CID 137284535

IUPAC2-amino-6-chloro-N-[4-(4-ethylpiperazin-1-yl)piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CCN(C2CCNCC2NC(=O)c2c(N)nn3c2NCC(Cl)C3)CC1
InChIInChI=1S/C18H31ClN8O/c1-2-25-5-7-26(8-6-25)14-3-4-21-10-13(14)23-18(28)15-16(20)24-27-11-12(19)9-22-17(15)27/h12-14,21-22H,2-11H2,1H3,(H2,20,24)(H,23,28)
InChIKeyYZCZDHMYQSMXHV-UHFFFAOYSA-N
MW410.95 g/mol
LogP-0.40
Rot. Bonds4

About 2-amino-6-chloro-N-[4-(4-ethylpiperazin-1-yl)piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-chloro-N-[4-(4-ethylpiperazin-1-yl)piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137284535) has the molecular formula C18H31ClN8O and a molecular weight of 410.95 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[4-(4-ethylpiperazin-1-yl)piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[4-(4-ethylpiperazin-1-yl)piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137284535
Molecular FormulaC18H31ClN8O
Molecular Weight410.95 g/mol
Exact Mass410.23
IUPAC Name2-amino-6-chloro-N-[4-(4-ethylpiperazin-1-yl)piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CCN(C2CCNCC2NC(=O)c2c(N)nn3c2NCC(Cl)C3)CC1
InChIInChI=1S/C18H31ClN8O/c1-2-25-5-7-26(8-6-25)14-3-4-21-10-13(14)23-18(28)15-16(20)24-27-11-12(19)9-22-17(15)27/h12-14,21-22H,2-11H2,1H3,(H2,20,24)(H,23,28)
InChIKeyYZCZDHMYQSMXHV-UHFFFAOYSA-N
XLogP-0.40
TPSA103.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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-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-(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-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-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146580543
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
3,3-diamino-2-[(1Z)-4-chloro-3,4,5,6,6a,7,8,9-octahydro-2H-cyclopenta[c]azocin-1-yl]-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]piperidin-3-yl]propanamide
CID 155150790
2-[[3-(4-ethylpiperazin-1-yl)piperidin-4-yl]methyl-methylamino]ethanol
CID 82565073
3,3-diamino-2-(6-butyl-3-chloro-6-methyl-3,4,5,7-tetrahydro-2H-azocin-8-yl)-N-[4-(1-oxo-1,4-thiazinan-4-yl)piperidin-3-yl]propanamide
CID 138645967
2-amino-N-[4-[4-(azetidin-1-yl)piperidin-1-yl]piperidin-3-yl]-6-chloro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140644105

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[4-(4-ethylpiperazin-1-yl)piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 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) is 2-amino-6-chloro-N-[4-(4-ethylpiperazin-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-chloro-N-[4-(4-ethylpiperazin-1-yl)piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[4-(4-ethylpiperazin-1-yl)piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN1CCN(C2CCNCC2NC(=O)c2c(N)nn3c2NCC(Cl)C3)CC1.
What is the InChIKey of 2-amino-6-chloro-N-[4-(4-ethylpiperazin-1-yl)piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YZCZDHMYQSMXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31ClN8O/c1-2-25-5-7-26(8-6-25)14-3-4-21-10-13(14)23-18(28)15-16(20)24-27-11-12(19)9-22-17(15)27/h12-14,21-22H,2-11H2,1H3,(H2,20,24)(H,23,28).
What are the key properties of 2-amino-6-chloro-N-[4-(4-ethylpiperazin-1-yl)piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-chloro-N-[4-(4-ethylpiperazin-1-yl)piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 410.95 g/mol, XLogP of -0.40, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[4-(4-ethylpiperazin-1-yl)piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137284535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).