N-[(1R,2R)-2-aminocyclopentyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide

C20H21N7OS — CID 155558700

IUPACN-[(1R,2R)-2-aminocyclopentyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
SMILESCn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCC[C@H]5N)c4)cnn3c2)cn1
InChIInChI=1S/C20H21N7OS/c1-26-9-14(7-23-26)13-6-22-19-15(8-24-27(19)10-13)12-5-18(29-11-12)20(28)25-17-4-2-3-16(17)21/h5-11,16-17H,2-4,21H2,1H3,(H,25,28)/t16-,17-/m1/s1
InChIKeyHKLLQKJDGCIDLW-IAGOWNOFSA-N
MW407.50 g/mol
LogP2.47
Rot. Bonds4

About N-[(1R,2R)-2-aminocyclopentyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide

N-[(1R,2R)-2-aminocyclopentyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide (PubChem CID 155558700) has the molecular formula C20H21N7OS and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclopentyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclopentyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
PubChem CID155558700
Molecular FormulaC20H21N7OS
Molecular Weight407.50 g/mol
Exact Mass407.15
IUPAC NameN-[(1R,2R)-2-aminocyclopentyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
SMILESCn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCC[C@H]5N)c4)cnn3c2)cn1
InChIInChI=1S/C20H21N7OS/c1-26-9-14(7-23-26)13-6-22-19-15(8-24-27(19)10-13)12-5-18(29-11-12)20(28)25-17-4-2-3-16(17)21/h5-11,16-17H,2-4,21H2,1H3,(H,25,28)/t16-,17-/m1/s1
InChIKeyHKLLQKJDGCIDLW-IAGOWNOFSA-N
XLogP2.47
TPSA103.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide
CID 59603852
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide
CID 68775357
[2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium
CID 59604043
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 59603955
N-cyclopropyl-4-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 24758311
N-[(1R,2S)-2-amino-3,3,3-trifluoro-1-phenylpropyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 59603903
N-[(1S,2R)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
CID 67123066
N-cyclobutyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 59603873
4-[6-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide
CID 168962401
tert-butyl 4-[3-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]thiophen-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]piperazine-1-carboxylate
CID 168962444
N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 70820328
N-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 70820315

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclopentyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclopentyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide (CID 155558700) is N-[(1R,2R)-2-aminocyclopentyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclopentyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclopentyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide is Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCC[C@H]5N)c4)cnn3c2)cn1.
What is the InChIKey of N-[(1R,2R)-2-aminocyclopentyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
The InChIKey is HKLLQKJDGCIDLW-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H21N7OS/c1-26-9-14(7-23-26)13-6-22-19-15(8-24-27(19)10-13)12-5-18(29-11-12)20(28)25-17-4-2-3-16(17)21/h5-11,16-17H,2-4,21H2,1H3,(H,25,28)/t16-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclopentyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
N-[(1R,2R)-2-aminocyclopentyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclopentyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 155558700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).