ethyl 5-[1-[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C23H29FN6O5 — CID 145224690

IUPACethyl 5-[1-[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(C)c3cc(F)cnc3OCCNC(=O)OC(C)(C)C)nc12
InChIInChI=1S/C23H29FN6O5/c1-6-33-21(31)17-13-27-30-9-7-18(29-19(17)30)28-14(2)16-11-15(24)12-26-20(16)34-10-8-25-22(32)35-23(3,4)5/h7,9,11-14H,6,8,10H2,1-5H3,(H,25,32)(H,28,29)
InChIKeyYWDPWOCWJNHBCB-UHFFFAOYSA-N
MW488.52 g/mol
LogP3.52
Rot. Bonds9

About ethyl 5-[1-[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-[1-[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 145224690) has the molecular formula C23H29FN6O5 and a molecular weight of 488.52 g/mol. Its IUPAC name is ethyl 5-[1-[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID145224690
Molecular FormulaC23H29FN6O5
Molecular Weight488.52 g/mol
Exact Mass488.22
IUPAC Nameethyl 5-[1-[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(C)c3cc(F)cnc3OCCNC(=O)OC(C)(C)C)nc12
InChIInChI=1S/C23H29FN6O5/c1-6-33-21(31)17-13-27-30-9-7-18(29-19(17)30)28-14(2)16-11-15(24)12-26-20(16)34-10-8-25-22(32)35-23(3,4)5/h7,9,11-14H,6,8,10H2,1-5H3,(H,25,32)(H,28,29)
InChIKeyYWDPWOCWJNHBCB-UHFFFAOYSA-N
XLogP3.52
TPSA128.97 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze ethyl 5-[1-[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate with MolForge

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Related Compounds

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N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449776
(7S)-10-fluorospiro[14-oxa-2,5,12,17,21,22,25-heptazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one
CID 146531007
(7S)-10-fluorospiro[5,14-dioxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one
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Tpx-0131
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(R)-N-cyclopropyl-5-(2-(5-fluoro-2-(2-morpholinoethoxy)phenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Trk-IN-10
CID 163196393
(16R)-10-fluoro-16-methyl-14-oxa-2,12,17,21,22,25-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaen-18-one
CID 139553400
(R)-5-(2-(5-fluoro-2-methoxypyridin-3-yl)pyrrolidin-1-yl)-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49839233

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-[1-[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 145224690) is ethyl 5-[1-[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-[1-[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-[1-[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(C)c3cc(F)cnc3OCCNC(=O)OC(C)(C)C)nc12.
What is the InChIKey of ethyl 5-[1-[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is YWDPWOCWJNHBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O5/c1-6-33-21(31)17-13-27-30-9-7-18(29-19(17)30)28-14(2)16-11-15(24)12-26-20(16)34-10-8-25-22(32)35-23(3,4)5/h7,9,11-14H,6,8,10H2,1-5H3,(H,25,32)(H,28,29).
What are the key properties of ethyl 5-[1-[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-[1-[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 488.52 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 145224690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).