3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H20ClN5O2 — CID 91762320

IUPAC3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnc2c(Cl)c(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N(C)C)nn2c1
InChIInChI=1S/C16H20ClN5O2/c1-8-6-18-15-10(17)12(20-22(15)7-8)16(23)19-11-9-4-5-24-14(9)13(11)21(2)3/h6-7,9,11,13-14H,4-5H2,1-3H3,(H,19,23)/t9-,11+,13-,14-/m1/s1
InChIKeyBKTJPFHYSJCUBK-QEGRKFQGSA-N
MW349.82 g/mol
LogP1.14
Rot. Bonds3

About 3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 91762320) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID91762320
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnc2c(Cl)c(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N(C)C)nn2c1
InChIInChI=1S/C16H20ClN5O2/c1-8-6-18-15-10(17)12(20-22(15)7-8)16(23)19-11-9-4-5-24-14(9)13(11)21(2)3/h6-7,9,11,13-14H,4-5H2,1-3H3,(H,19,23)/t9-,11+,13-,14-/m1/s1
InChIKeyBKTJPFHYSJCUBK-QEGRKFQGSA-N
XLogP1.14
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]thiophene-2-carboxamide
CID 91797261
3-chloro-6-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 77097468
3-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 95559023
N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 91787263
3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 77083829
3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 118795094
3-chloro-N,6-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 97124608
5-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indole-2-carboxamide
CID 91769182
N-[(1S,5S,6R,7S)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethoxypyridine-3-carboxamide
CID 133268351
5-chloro-4-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrimidine-2,4-diamine
CID 91790691
3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 77080620
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-propyl-2,5-dihydropyrrol-1-yl)methanone
CID 77080412

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 91762320) is 3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cnc2c(Cl)c(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N(C)C)nn2c1.
What is the InChIKey of 3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is BKTJPFHYSJCUBK-QEGRKFQGSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-8-6-18-15-10(17)12(20-22(15)7-8)16(23)19-11-9-4-5-24-14(9)13(11)21(2)3/h6-7,9,11,13-14H,4-5H2,1-3H3,(H,19,23)/t9-,11+,13-,14-/m1/s1.
What are the key properties of 3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 91762320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).