N-[(1R)-1-hydroxy-2,2-dimethyl-6-morpholin-4-yl-1,3-dihydroinden-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H25N5O3 — CID 129284097

IUPACN-[(1R)-1-hydroxy-2,2-dimethyl-6-morpholin-4-yl-1,3-dihydroinden-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2[C@@H]1O
InChIInChI=1S/C22H25N5O3/c1-22(2)12-14-10-17(18(11-15(14)19(22)28)26-6-8-30-9-7-26)25-21(29)16-13-24-27-5-3-4-23-20(16)27/h3-5,10-11,13,19,28H,6-9,12H2,1-2H3,(H,25,29)/t19-/m0/s1
InChIKeyRATMYVYGSCVTEW-IBGZPJMESA-N
MW407.47 g/mol
LogP2.43
Rot. Bonds3

About N-[(1R)-1-hydroxy-2,2-dimethyl-6-morpholin-4-yl-1,3-dihydroinden-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R)-1-hydroxy-2,2-dimethyl-6-morpholin-4-yl-1,3-dihydroinden-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129284097) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[(1R)-1-hydroxy-2,2-dimethyl-6-morpholin-4-yl-1,3-dihydroinden-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-hydroxy-2,2-dimethyl-6-morpholin-4-yl-1,3-dihydroinden-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129284097
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[(1R)-1-hydroxy-2,2-dimethyl-6-morpholin-4-yl-1,3-dihydroinden-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2[C@@H]1O
InChIInChI=1S/C22H25N5O3/c1-22(2)12-14-10-17(18(11-15(14)19(22)28)26-6-8-30-9-7-26)25-21(29)16-13-24-27-5-3-4-23-20(16)27/h3-5,10-11,13,19,28H,6-9,12H2,1-2H3,(H,25,29)/t19-/m0/s1
InChIKeyRATMYVYGSCVTEW-IBGZPJMESA-N
XLogP2.43
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,3-dimethyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 152925341
N-[(2R)-2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284178
N-(2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284180
N-[(2S)-2-methyl-2-(methylcarbamoyl)-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284270
N-[2-(iodomethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167375705
N-[(2S)-2-(2-hydroxy-2-methylpropyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284777
N-[(3R)-3-(1-cyanoethyl)-3-methyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146483089
N-(5-chloro-2-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056194
N-(1'-ethyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284364
N-[2-(hydroxymethyl)-6-morpholin-4-yl-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284129
N-[4-hydroxy-5-[[(1R)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129297723
N-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 160659318

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-hydroxy-2,2-dimethyl-6-morpholin-4-yl-1,3-dihydroinden-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R)-1-hydroxy-2,2-dimethyl-6-morpholin-4-yl-1,3-dihydroinden-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129284097) is N-[(1R)-1-hydroxy-2,2-dimethyl-6-morpholin-4-yl-1,3-dihydroinden-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-hydroxy-2,2-dimethyl-6-morpholin-4-yl-1,3-dihydroinden-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-hydroxy-2,2-dimethyl-6-morpholin-4-yl-1,3-dihydroinden-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2[C@@H]1O.
What is the InChIKey of N-[(1R)-1-hydroxy-2,2-dimethyl-6-morpholin-4-yl-1,3-dihydroinden-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RATMYVYGSCVTEW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N5O3/c1-22(2)12-14-10-17(18(11-15(14)19(22)28)26-6-8-30-9-7-26)25-21(29)16-13-24-27-5-3-4-23-20(16)27/h3-5,10-11,13,19,28H,6-9,12H2,1-2H3,(H,25,29)/t19-/m0/s1.
What are the key properties of N-[(1R)-1-hydroxy-2,2-dimethyl-6-morpholin-4-yl-1,3-dihydroinden-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R)-1-hydroxy-2,2-dimethyl-6-morpholin-4-yl-1,3-dihydroinden-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-hydroxy-2,2-dimethyl-6-morpholin-4-yl-1,3-dihydroinden-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129284097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).