N-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H29N7O4 — CID 146560165

IUPACN-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3[C@H]4COC[C@@H]34)c2=O)nc2c(C(=O)NC3CC[C@]3(C)OC)cnn12
InChIInChI=1S/C24H29N7O4/c1-24(34-3)7-6-17(24)28-22(32)13-10-26-31-19(25-2)9-18(29-21(13)31)27-16-5-4-8-30(23(16)33)20-14-11-35-12-15(14)20/h4-5,8-10,14-15,17,20,25H,6-7,11-12H2,1-3H3,(H,27,29)(H,28,32)/t14-,15+,17?,20?,24-/m0/s1
InChIKeyKUNMCOOUVWNYNG-QAGJKXKRSA-N
MW479.54 g/mol
LogP1.79
Rot. Bonds7

About N-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560165) has the molecular formula C24H29N7O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146560165
Molecular FormulaC24H29N7O4
Molecular Weight479.54 g/mol
Exact Mass479.23
IUPAC NameN-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3[C@H]4COC[C@@H]34)c2=O)nc2c(C(=O)NC3CC[C@]3(C)OC)cnn12
InChIInChI=1S/C24H29N7O4/c1-24(34-3)7-6-17(24)28-22(32)13-10-26-31-19(25-2)9-18(29-21(13)31)27-16-5-4-8-30(23(16)33)20-14-11-35-12-15(14)20/h4-5,8-10,14-15,17,20,25H,6-7,11-12H2,1-3H3,(H,27,29)(H,28,32)/t14-,15+,17?,20?,24-/m0/s1
InChIKeyKUNMCOOUVWNYNG-QAGJKXKRSA-N
XLogP1.79
TPSA123.81 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560165) is N-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3[C@H]4COC[C@@H]34)c2=O)nc2c(C(=O)NC3CC[C@]3(C)OC)cnn12.
What is the InChIKey of N-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KUNMCOOUVWNYNG-QAGJKXKRSA-N. The full InChI is InChI=1S/C24H29N7O4/c1-24(34-3)7-6-17(24)28-22(32)13-10-26-31-19(25-2)9-18(29-21(13)31)27-16-5-4-8-30(23(16)33)20-14-11-35-12-15(14)20/h4-5,8-10,14-15,17,20,25H,6-7,11-12H2,1-3H3,(H,27,29)(H,28,32)/t14-,15+,17?,20?,24-/m0/s1.
What are the key properties of N-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).