(2S)-2-cyclopropyl-2-[[2-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide

C22H25N7O2 — CID 126700792

IUPAC(2S)-2-cyclopropyl-2-[[2-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide
SMILESNC(=O)[C@@H](Nc1cc2c3c(c1)nc(N1CCc4nccnc4C1)n3CCCO2)C1CC1
InChIInChI=1S/C22H25N7O2/c23-21(30)19(13-2-3-13)26-14-10-16-20-18(11-14)31-9-1-7-29(20)22(27-16)28-8-4-15-17(12-28)25-6-5-24-15/h5-6,10-11,13,19,26H,1-4,7-9,12H2,(H2,23,30)/t19-/m0/s1
InChIKeyACONLURQRXBBNJ-IBGZPJMESA-N
MW419.49 g/mol
LogP1.85
Rot. Bonds5

About (2S)-2-cyclopropyl-2-[[2-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide

(2S)-2-cyclopropyl-2-[[2-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide (PubChem CID 126700792) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-2-[[2-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-2-[[2-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide
PubChem CID126700792
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name(2S)-2-cyclopropyl-2-[[2-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide
SMILESNC(=O)[C@@H](Nc1cc2c3c(c1)nc(N1CCc4nccnc4C1)n3CCCO2)C1CC1
InChIInChI=1S/C22H25N7O2/c23-21(30)19(13-2-3-13)26-14-10-16-20-18(11-14)31-9-1-7-29(20)22(27-16)28-8-4-15-17(12-28)25-6-5-24-15/h5-6,10-11,13,19,26H,1-4,7-9,12H2,(H2,23,30)/t19-/m0/s1
InChIKeyACONLURQRXBBNJ-IBGZPJMESA-N
XLogP1.85
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-2-cyclopropyl-2-[[2-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-2-[[2-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide?
The IUPAC name of (2S)-2-cyclopropyl-2-[[2-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide (CID 126700792) is (2S)-2-cyclopropyl-2-[[2-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide.
What is the SMILES notation for (2S)-2-cyclopropyl-2-[[2-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide?
The canonical SMILES for (2S)-2-cyclopropyl-2-[[2-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide is NC(=O)[C@@H](Nc1cc2c3c(c1)nc(N1CCc4nccnc4C1)n3CCCO2)C1CC1.
What is the InChIKey of (2S)-2-cyclopropyl-2-[[2-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide?
The InChIKey is ACONLURQRXBBNJ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N7O2/c23-21(30)19(13-2-3-13)26-14-10-16-20-18(11-14)31-9-1-7-29(20)22(27-16)28-8-4-15-17(12-28)25-6-5-24-15/h5-6,10-11,13,19,26H,1-4,7-9,12H2,(H2,23,30)/t19-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-2-[[2-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide?
(2S)-2-cyclopropyl-2-[[2-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide has a molecular weight of 419.49 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-2-[[2-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide is sourced from PubChem (CID 126700792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).