tert-butyl-[1-[(2S)-2-hydroxy-4-(3-methoxy-6-oxopyrido[2,3-b]pyrazin-5-yl)butyl]piperidin-4-yl]carbamic acid

C22H33N5O5 — CID 66839927

IUPACtert-butyl-[1-[(2S)-2-hydroxy-4-(3-methoxy-6-oxopyrido[2,3-b]pyrazin-5-yl)butyl]piperidin-4-yl]carbamic acid
SMILESCOc1cnc2ccc(=O)n(CC[C@H](O)CN3CCC(N(C(=O)O)C(C)(C)C)CC3)c2n1
InChIInChI=1S/C22H33N5O5/c1-22(2,3)27(21(30)31)15-7-10-25(11-8-15)14-16(28)9-12-26-19(29)6-5-17-20(26)24-18(32-4)13-23-17/h5-6,13,15-16,28H,7-12,14H2,1-4H3,(H,30,31)/t16-/m0/s1
InChIKeyCXEGWUPQNZEWCT-INIZCTEOSA-N
MW447.54 g/mol
LogP1.79
Rot. Bonds7

About tert-butyl-[1-[(2S)-2-hydroxy-4-(3-methoxy-6-oxopyrido[2,3-b]pyrazin-5-yl)butyl]piperidin-4-yl]carbamic acid

tert-butyl-[1-[(2S)-2-hydroxy-4-(3-methoxy-6-oxopyrido[2,3-b]pyrazin-5-yl)butyl]piperidin-4-yl]carbamic acid (PubChem CID 66839927) has the molecular formula C22H33N5O5 and a molecular weight of 447.54 g/mol. Its IUPAC name is tert-butyl-[1-[(2S)-2-hydroxy-4-(3-methoxy-6-oxopyrido[2,3-b]pyrazin-5-yl)butyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-[(2S)-2-hydroxy-4-(3-methoxy-6-oxopyrido[2,3-b]pyrazin-5-yl)butyl]piperidin-4-yl]carbamic acid
PubChem CID66839927
Molecular FormulaC22H33N5O5
Molecular Weight447.54 g/mol
Exact Mass447.25
IUPAC Nametert-butyl-[1-[(2S)-2-hydroxy-4-(3-methoxy-6-oxopyrido[2,3-b]pyrazin-5-yl)butyl]piperidin-4-yl]carbamic acid
SMILESCOc1cnc2ccc(=O)n(CC[C@H](O)CN3CCC(N(C(=O)O)C(C)(C)C)CC3)c2n1
InChIInChI=1S/C22H33N5O5/c1-22(2,3)27(21(30)31)15-7-10-25(11-8-15)14-16(28)9-12-26-19(29)6-5-17-20(26)24-18(32-4)13-23-17/h5-6,13,15-16,28H,7-12,14H2,1-4H3,(H,30,31)/t16-/m0/s1
InChIKeyCXEGWUPQNZEWCT-INIZCTEOSA-N
XLogP1.79
TPSA121.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl-[1-[2-(7-chloro-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 86652542
tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66774842
tert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66773432
tert-butyl-[(3S,4R)-3-hydroxy-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 67996141
(E)-but-2-enedioic acid;5-[2-[4-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-ylmethylamino)piperidin-1-yl]ethyl]-3-methoxypyrido[2,3-b]pyrazin-6-one
CID 25032631
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid
CID 68809502
tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidin-4-yl]carbamic acid
CID 66774488
tert-butyl-[1-[(5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid
CID 68597585
tert-butyl-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66775309
tert-butyl-[1-[(11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamic acid
CID 68689436
5-tert-butyl-3-methoxypyrido[2,3-b]pyrazin-6-one
CID 137448946
4-(2,2-dimethoxyethyl)-6-methoxypyrido[2,3-b]pyrazin-3-one
CID 53302190

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[(2S)-2-hydroxy-4-(3-methoxy-6-oxopyrido[2,3-b]pyrazin-5-yl)butyl]piperidin-4-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-[(2S)-2-hydroxy-4-(3-methoxy-6-oxopyrido[2,3-b]pyrazin-5-yl)butyl]piperidin-4-yl]carbamic acid (CID 66839927) is tert-butyl-[1-[(2S)-2-hydroxy-4-(3-methoxy-6-oxopyrido[2,3-b]pyrazin-5-yl)butyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-[(2S)-2-hydroxy-4-(3-methoxy-6-oxopyrido[2,3-b]pyrazin-5-yl)butyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-[(2S)-2-hydroxy-4-(3-methoxy-6-oxopyrido[2,3-b]pyrazin-5-yl)butyl]piperidin-4-yl]carbamic acid is COc1cnc2ccc(=O)n(CC[C@H](O)CN3CCC(N(C(=O)O)C(C)(C)C)CC3)c2n1.
What is the InChIKey of tert-butyl-[1-[(2S)-2-hydroxy-4-(3-methoxy-6-oxopyrido[2,3-b]pyrazin-5-yl)butyl]piperidin-4-yl]carbamic acid?
The InChIKey is CXEGWUPQNZEWCT-INIZCTEOSA-N. The full InChI is InChI=1S/C22H33N5O5/c1-22(2,3)27(21(30)31)15-7-10-25(11-8-15)14-16(28)9-12-26-19(29)6-5-17-20(26)24-18(32-4)13-23-17/h5-6,13,15-16,28H,7-12,14H2,1-4H3,(H,30,31)/t16-/m0/s1.
What are the key properties of tert-butyl-[1-[(2S)-2-hydroxy-4-(3-methoxy-6-oxopyrido[2,3-b]pyrazin-5-yl)butyl]piperidin-4-yl]carbamic acid?
tert-butyl-[1-[(2S)-2-hydroxy-4-(3-methoxy-6-oxopyrido[2,3-b]pyrazin-5-yl)butyl]piperidin-4-yl]carbamic acid has a molecular weight of 447.54 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[(2S)-2-hydroxy-4-(3-methoxy-6-oxopyrido[2,3-b]pyrazin-5-yl)butyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 66839927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).